2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide

C23H15ClN4O2S — CID 60545133

About 2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide

2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide (PubChem CID 60545133) has the molecular formula C23H15ClN4O2S and a molecular weight of 446.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 60545133
• Molecular Formula: C23H15ClN4O2S
• Molecular Weight: 446.92 g/mol
• Exact Mass: 446.06
• IUPAC Name: 2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2cccc(Cl)c2)n1
• InChI: InChI=1S/C23H15ClN4O2S/c1-14-10-18(30-22-16(12-25)5-3-9-26-22)7-8-19(14)27-21(29)20-13-31-23(28-20)15-4-2-6-17(24)11-15/h2-11,13H,1H3,(H,27,29)
• InChIKey: LGOWKWZPHWLHSQ-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 87.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.92
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide (CID 60545133) is 2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2cccc(Cl)c2)n1.

What is the InChIKey of 2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide?

The InChIKey is LGOWKWZPHWLHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O2S/c1-14-10-18(30-22-16(12-25)5-3-9-26-22)7-8-19(14)27-21(29)20-13-31-23(28-20)15-4-2-6-17(24)11-15/h2-11,13H,1H3,(H,27,29).

What are the key properties of 2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide?

2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 446.92 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60545133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).