N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C26H27ClN8OS — CID 25166573

IUPACN-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(-c2ccc(N3CCN(C)CC3)nc2)n1
InChIInChI=1S/C26H27ClN8OS/c1-16-5-4-6-19(27)24(16)33-25(36)21-15-29-26(37-21)32-22-13-20(30-17(2)31-22)18-7-8-23(28-14-18)35-11-9-34(3)10-12-35/h4-8,13-15H,9-12H2,1-3H3,(H,33,36)(H,29,30,31,32)
InChIKeyMCHKQKAKPJDWAK-UHFFFAOYSA-N
MW535.08 g/mol
LogP5.01
Rot. Bonds6

About N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 25166573) has the molecular formula C26H27ClN8OS and a molecular weight of 535.08 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID25166573
Molecular FormulaC26H27ClN8OS
Molecular Weight535.08 g/mol
Exact Mass534.17
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(-c2ccc(N3CCN(C)CC3)nc2)n1
InChIInChI=1S/C26H27ClN8OS/c1-16-5-4-6-19(27)24(16)33-25(36)21-15-29-26(37-21)32-22-13-20(30-17(2)31-22)18-7-8-23(28-14-18)35-11-9-34(3)10-12-35/h4-8,13-15H,9-12H2,1-3H3,(H,33,36)(H,29,30,31,32)
InChIKeyMCHKQKAKPJDWAK-UHFFFAOYSA-N
XLogP5.01
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.08
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 75989634
N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 131989212
2-[[6-(4-acetylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 142458527
N-(2-chloro-6-methylphenyl)-2-[(2-methyl-6-piperazin-4-id-1-ylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;vanadium
CID 172602783
2-[[6-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 90367547
N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;methane
CID 24795068
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;ethane
CID 144702960
N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
CID 11269410
N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 164792990
N-(2-chloro-6-methylphenyl)-2-[[2-[2,2-di(prop-2-enoyl)hydrazinyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 131989217
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-(methylaminomethoxy)ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 144687997
2-[[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetyl]amino]ethanesulfonic acid
CID 11854272

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 25166573) is N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(-c2ccc(N3CCN(C)CC3)nc2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is MCHKQKAKPJDWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN8OS/c1-16-5-4-6-19(27)24(16)33-25(36)21-15-29-26(37-21)32-22-13-20(30-17(2)31-22)18-7-8-23(28-14-18)35-11-9-34(3)10-12-35/h4-8,13-15H,9-12H2,1-3H3,(H,33,36)(H,29,30,31,32).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 535.08 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25166573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).