AG002DDL

201410-53-9 | 2-Benzothiazolamine, N-[4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl]-

AG002DDL

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CAS Number	201410-53-9
Catalog Number	AG002DDL(AGN-PC-0MTPZM)
Chemical Name	2-Benzothiazolamine, N-[4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl]-
IUPAC Name	N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-amine
InChI	InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)
InChI Key	SNFYYXUGUBUECJ-UHFFFAOYSA-N
MDL Number	MFCD17166995
Molecular Formula	C21H23N5S
Molecular Weight	377.5058
SMILES	S1C2=CC=CC=C2N=C1NC1=CC=C(C(N2C=NC=N2)C(CC)CC)C=C1
Synonyms	N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)-2-benzothiazolamine, R 115866, R-115866, R115866, Rambazole, talarozole, Talarozole, 201410-53-9, Rambazole, R-115866, N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)benzo[d]thiazol-2-amine, R115866, Talarozole R-Enantiomer, CHEMBL459505, C21H23N5S, Rambazole (TN), Talarozole (USAN/INN), Talarozole [USAN:INN], 2-Benzothiazolamine, N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)-, 2-Benzothiazolamine, N-[4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl]-, R 115866, N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)-2-benzothiazolamine, Talarozole pound>>, SCHEMBL721201, CHEBI:102167, SNFYYXUGUBUECJ-UHFFFAOYSA-N, BCP21218, BCP28256, 0328AB, BDBM50253810, AKOS005067289, CS-1343, DB13083, NCGC00378894-01, HY-14531, AX8224298, D09385, W-5674, R115866;R-115866;R 115866, (+/-)-N-[4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl]-2-benzothiazol-amine, (+/-)-N-[4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl]-2-benzothiazolamine, N-(4-((1RS)-2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)benzothiazol-2-amine, N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine, N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine, Talarozole [USAN], UNII-XKD9N5CJ6W, XKD9N5CJ6W, D0AA6Z, D0L8WT, MEN13510, CID9799888, C406527, 870093-23-5, 25122-46-7,

Complexity	452
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	377.167g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	377.51g/mol
Monoisotopic Mass	377.167g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	83.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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