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88964-41-4 | 2-Pyrimidinamine, N-[4-(4-chlorophenyl)-2-thiazolyl]-1,4,5,6-tetrahydro-
CAS No: 88964-41-4 Catalog No: AG0045YL MDL No:
Product Description
Catalog Number:
AG0045YL
Chemical Name:
2-Pyrimidinamine, N-[4-(4-chlorophenyl)-2-thiazolyl]-1,4,5,6-tetrahydro-
CAS Number:
88964-41-4
Molecular Formula:
C13H13ClN4S
Molecular Weight:
292.7871
IUPAC Name:
4-(4-chlorophenyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
InChI:
InChI=1S/C13H13ClN4S/c14-10-4-2-9(3-5-10)11-8-19-13(17-11)18-12-15-6-1-7-16-12/h2-5,8H,1,6-7H2,(H2,15,16,17,18)
InChI Key:
VBNNACRFQCMFTR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1csc(n1)NC1=NCCCN1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.055g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.785g/mol
Monoisotopic Mass:
292.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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