AG00F9UQ

68377-92-4 | 2-Thiophenecarboxamide,5-[2-[[3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl]thio]-4-thiazolyl]-

AG00F9UQ

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CAS Number	68377-92-4
Catalog Number	AG00F9UQ(AGN-PC-0TSAYI)
Chemical Name	2-Thiophenecarboxamide,5-[2-[[3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl]thio]-4-thiazolyl]-
IUPAC Name	5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide
InChI	InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)
InChI Key	BHIAIPWSVYSKJS-UHFFFAOYSA-N
MDL Number	MFCD00865895
Molecular Formula	C15H21N3O2S3
Molecular Weight	371.5411
NSC Number	317940
SMILES	O=C(C1=CC=C(C2=CSC(SCC(O)CNC(C)(C)C)=N2)S1)N
Synonyms	2-(3'-tert-butylamino-2'-hydroxypropylthio)-4-(5'-carbamoyl-2'-thienyl)thiazole hydrochloride, arotinolol, arotinolol hydrochloride, arotinolol, (+-)-isomer, S 596, S-596, Arotinolol, 68377-92-4, 5-(2-((3-(tert-Butylamino)-2-hydroxypropyl)thio)thiazol-4-yl)thiophene-2-carboxamide, Arotinolol [INN], Arotinololum [Latin], C15H21N3O2S3, Arotinolol (INN), 2-(3-tert-Butylamino-2-hydroxypropylthio)-4-(5-carbamoyl-2-thienyl)thiazole, S-596, AK129719, 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide, Arotinololum, (+-)-5-(2-((3-(tert-Butylamino)-2-hydroxypropyl)thio)-4-thiazolyl)-2-thiophenecarboxamide, 2-Thiophenecarboxamide, 5-(2-((3-((1,1-dimethylethyl)amino)-2-hydroxypropyl)thio)-4-thiazolyl)-, ( -)-Arotinolol, (+-)-Arotinolol, arotinolol, (+-)-isomer, AC1L1D8F, AC1Q5J3Z, 2-(3'-tert-Butylamino-2'-hydroxypropylthio)-4-(5'-carbamoyl-2'-thienyl)thiazole hydrochloride, SCHEMBL80713, CHEMBL93298, DTXSID3022619, BDBM81885, KS-00000FNX, CHEBI:135569, MFCD00865895, NSC317940, AKOS016014208, API0013550, DB09204, NSC-317940, 5-(2-((3-((1,1-Dimethylethyl)amino)-2-hydroxypropyl)thio)-4-thiazolyl)-2-thiophenecarboxamide, AN-38179, CC-24182, K136, AX8114690, CAS_52560-77-7, LS-175382, LS-176661, 4CH-007040, FT-0601557, ST24029261, D07465, 377A924, C-21167, L013390, SR-01000944984, SR-01000944984-1, 5-(2-(3-(tert-butylamino)-2-hydroxypropylthio)thiazol-4-yl)thiophene-2-carboxamide, 5-[2-[3-(tert-butylamino)-2-hydroxy-propyl]sulfanylthiazol-4-yl]thiophene-2-carboxamide, 2-Thiophenecarboxamide,5-[2-[[3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl]thio]-4-thiazolyl]-, 5-(2-{[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl}-1,3-thiazol-4-yl)-2-thiophenecarboxamide, 5-[2-({3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl}thio)-1,3-thiazol-4-yl]thiophene-2-carboxamide, Arotinolol HCl, arotinolol hydrochloride, UNII-394E3P3B99, CID2239, AR-1H7539, S 596, 394E3P3B99, C15-H21-N3-O2-S3, CS-T-04167, C024523, ARL, 5-[2-[[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropyl]thio]-4-thiazolyl]-2-thiophenecarboxamide, 52560-77-7, 68377-91-3, 6939-38-4,

Complexity	406
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	371.08g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	371.532g/mol
Monoisotopic Mass	371.08g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	170A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number