N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide

C21H24ClN7O2S — CID 54309100

IUPACN-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1csc(Nc2cc(NCCN3CCOCC3)ncn2)n1
InChIInChI=1S/C21H24ClN7O2S/c1-14-3-2-4-15(22)19(14)28-20(30)16-12-32-21(26-16)27-18-11-17(24-13-25-18)23-5-6-29-7-9-31-10-8-29/h2-4,11-13H,5-10H2,1H3,(H,28,30)(H2,23,24,25,26,27)
InChIKeySJQDIZHLCGXZNV-UHFFFAOYSA-N
MW473.99 g/mol
LogP3.63
Rot. Bonds8

About N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 54309100) has the molecular formula C21H24ClN7O2S and a molecular weight of 473.99 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide
PubChem CID54309100
Molecular FormulaC21H24ClN7O2S
Molecular Weight473.99 g/mol
Exact Mass473.14
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1csc(Nc2cc(NCCN3CCOCC3)ncn2)n1
InChIInChI=1S/C21H24ClN7O2S/c1-14-3-2-4-15(22)19(14)28-20(30)16-12-32-21(26-16)27-18-11-17(24-13-25-18)23-5-6-29-7-9-31-10-8-29/h2-4,11-13H,5-10H2,1H3,(H,28,30)(H2,23,24,25,26,27)
InChIKeySJQDIZHLCGXZNV-UHFFFAOYSA-N
XLogP3.63
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.99
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 54217612
4-N-(2-ethyl-6-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857635
N-(2,6-dimethylphenyl)-2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 21137653
N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344495
N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide
CID 91531122
2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80569393
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109366400
2-N-(2,6-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083750
N-(4-ethylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344479
6-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109344421
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109344513

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide (CID 54309100) is N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide is Cc1cccc(Cl)c1NC(=O)c1csc(Nc2cc(NCCN3CCOCC3)ncn2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is SJQDIZHLCGXZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O2S/c1-14-3-2-4-15(22)19(14)28-20(30)16-12-32-21(26-16)27-18-11-17(24-13-25-18)23-5-6-29-7-9-31-10-8-29/h2-4,11-13H,5-10H2,1H3,(H,28,30)(H2,23,24,25,26,27).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 473.99 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 54309100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).