chempirical

2-[(6-Chloro-2-methylpyrimidin-4-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

C16H13Cl2N5OSCAS 302964-08-5394.27 g/mol

Open in Covalent MOL file
NClNHNONHClSN
Aryl halideSecondary amine

Properties

Molecular formula
C16H13Cl2N5OS
Molar mass
394.27 g/mol
Exact mass
393.0218 Da
logP
5.24Crippen estimate
Polar surface area
83.3 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
302964-08-5
SMILES
Cc1nc(Cl)cc(Nc2ncc(C(O)=Nc3c(C)cccc3Cl)s2)n1
InChIKey
LMXUWARKUIELGT-UHFFFAOYSA-N
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)

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Names and synonyms

3 names
  • N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide
  • 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-
  • 2-[(6-Chloro-2-methylpyrimidin-4-yl)amino]-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

Work with 2-[(6-Chloro-2-methylpyrimidin-4-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dasatinib302962-49-868 % similar Dasatinib monohydrate863127-77-965 % similar 2-Amino-N-(2-chloro-6-methylphenyl)-5-thiazolecarboxamide302964-24-545 % similar 2′,6′-Picolinoxylidide39627-98-033 % similar 2-Chloro-6-methylphenyl isocyanate40398-01-433 % similar 2-Chloro-6-methylphenyl isothiocyanate19241-34-031 % similar 2-Chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide133627-46-031 % similar Xipamide14293-44-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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