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302964-08-5 | 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-
CAS No: 302964-08-5 Catalog No: AG002ZJI MDL No:MFCD11045075
Product Description
Catalog Number:
AG002ZJI
Chemical Name:
5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-
CAS Number:
302964-08-5
Molecular Formula:
C16H13Cl2N5OS
Molecular Weight:
394.2783
MDL Number:
MFCD11045075
IUPAC Name:
N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
InChI:
InChI=1S/C16H13Cl2N5OS/c1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13/h3-7H,1-2H3,(H,23,24)(H,19,20,21,22)
InChI Key:
LMXUWARKUIELGT-UHFFFAOYSA-N
SMILES:
Clc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(n1)C
EC Number:
695-686-7
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.022g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.274g/mol
Monoisotopic Mass:
393.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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