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

C26H25ClN4OS — CID 142946056

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

N-(2-chloro-6-methylphenyl)-N-[(4-ethylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 142946056) has the molecular formula C26H25ClN4OS and a molecular weight of 477.03 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-N-[(4-ethylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-N-[(4-ethylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 142946056
• Molecular Formula: C26H25ClN4OS
• Molecular Weight: 477.03 g/mol
• Exact Mass: 476.14
• IUPAC Name: N-(2-chloro-6-methylphenyl)-N-[(4-ethylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
• SMILES: CCc1ccc(CN(C(=O)c2cnc(Nc3cccc(C)n3)s2)c2c(C)cccc2Cl)cc1
• InChI: InChI=1S/C26H25ClN4OS/c1-4-19-11-13-20(14-12-19)16-31(24-17(2)7-5-9-21(24)27)25(32)22-15-28-26(33-22)30-23-10-6-8-18(3)29-23/h5-15H,4,16H2,1-3H3,(H,28,29,30)
• InChIKey: IDRIPHXSDRMSRT-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.03
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-N-[(4-ethylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-N-[(4-ethylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide (CID 142946056) is N-(2-chloro-6-methylphenyl)-N-[(4-ethylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-N-[(4-ethylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-N-[(4-ethylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide is CCc1ccc(CN(C(=O)c2cnc(Nc3cccc(C)n3)s2)c2c(C)cccc2Cl)cc1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-N-[(4-ethylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?

The InChIKey is IDRIPHXSDRMSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4OS/c1-4-19-11-13-20(14-12-19)16-31(24-17(2)7-5-9-21(24)27)25(32)22-15-28-26(33-22)30-23-10-6-8-18(3)29-23/h5-15H,4,16H2,1-3H3,(H,28,29,30).

What are the key properties of N-(2-chloro-6-methylphenyl)-N-[(4-ethylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?

N-(2-chloro-6-methylphenyl)-N-[(4-ethylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 477.03 g/mol, XLogP of 6.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-N-[(4-ethylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 142946056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).