2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

C25H22ClN3O3S — CID 42865936

About 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 42865936) has the molecular formula C25H22ClN3O3S and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 42865936
• Molecular Formula: C25H22ClN3O3S
• Molecular Weight: 479.99 g/mol
• Exact Mass: 479.11
• IUPAC Name: 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
• SMILES: COc1cc(-c2nc(C(=O)NCCc3ccccn3)cs2)ccc1OCc1ccccc1Cl
• InChI: InChI=1S/C25H22ClN3O3S/c1-31-23-14-17(9-10-22(23)32-15-18-6-2-3-8-20(18)26)25-29-21(16-33-25)24(30)28-13-11-19-7-4-5-12-27-19/h2-10,12,14,16H,11,13,15H2,1H3,(H,28,30)
• InChIKey: CAKYQRRNDASHAI-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.99
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide (CID 42865936) is 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide is COc1cc(-c2nc(C(=O)NCCc3ccccn3)cs2)ccc1OCc1ccccc1Cl.

What is the InChIKey of 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?

The InChIKey is CAKYQRRNDASHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3S/c1-31-23-14-17(9-10-22(23)32-15-18-6-2-3-8-20(18)26)25-29-21(16-33-25)24(30)28-13-11-19-7-4-5-12-27-19/h2-10,12,14,16H,11,13,15H2,1H3,(H,28,30).

What are the key properties of 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?

2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 479.99 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42865936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).