AG000Z9B

129639-79-8 | 2-Pyrimidinamine, N-[4-[2-(2,4-dimethylphenoxy)phenyl]-2-thiazolyl]-1,4,5,6-tetrahydro-

AG000Z9B

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CAS Number	129639-79-8
Catalog Number	AG000Z9B(AGN-PC-0JPM7K)
Chemical Name	2-Pyrimidinamine, N-[4-[2-(2,4-dimethylphenoxy)phenyl]-2-thiazolyl]-1,4,5,6-tetrahydro-
EC Number	603-349-2
IUPAC Name	4-[2-(2,4-dimethylphenoxy)phenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
InChI	InChI=1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25)
InChI Key	TYBHXIFFPVFXQW-UHFFFAOYSA-N
MDL Number	MFCD00942263
Molecular Formula	C21H22N4OS
Molecular Weight	378.4906
SMILES	CC1=C(OC2=C(C=CC=C2)C=2N=C(SC2)NC=2NCCCN2)C=CC(=C1)C
UNII	11DI31LWXF
Synonyms	abafungin, Abafungin, 129639-79-8, abafungina, abafungine, abafunginum, bay w 6341, UNII-11DI31LWXF, N-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]-1,4,5,6-tetrahydropyrimidin-2-amine, 11DI31LWXF, 4-(2-(2,4-Dimethylphenoxy)phenyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)thiazol-2-amine, BAY-W 6341, C21H22N4OS, Abasol, 4-[2-(2,4-dimethylphenoxy)phenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine, Abafungin [INN:BAN], AC1Q4URQ, AC1L4LN6, SCHEMBL301668, BAY-w-6341, CHEMBL3989547, SCHEMBL12795940, CHEBI:76005, BAY-W-6341-, BCP08353, KS-000000VO, ZINC3938976, 6067AH, MFCD00942263, AKOS030228042, API0025846, DB06395, TRA0085256, AT-24299, A-8607, 639A798, J-005698, Hexahydro-2-((4-(o-(2,4-xylyloxy)phenyl)-2-thiazolyl)imino)pyrimidine, 2-Pyrimidinamine, N-[4-[2-(2,4-dimethylphenoxy)phenyl]-2-thiazolyl]-1,4,5,6-tetrahydro-, N-[4-[2-(2,4-Dimethylphenoxy)phenyl]-2-thiazolyl]-1,4,5,6-tetrahydro-2-pyrimidinamine, N-{4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl}tetrahydropyrimidin-2(1H)-imine, D08MTG, C21-H22-N4-O-S, AR-1H7782, AR-1H7783, CID159326, YP-006, YP-007, Abafungin (gel formulation), York Pharma, W-634, Abafungin (cream, dermatomycosis), York Pharma, Abafungin (pessary, vaginal candidiasis), York Pharma, Abafungin (gel formulation, onychomycosis), York Pharma, 15116-90-2, 15118-67-9,

Complexity	516
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	378.151g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	378.494g/mol
Monoisotopic Mass	378.151g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	86.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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