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

C26H23ClN2O3S — CID 42865822

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

2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 42865822) has the molecular formula C26H23ClN2O3S and a molecular weight of 479.00 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 42865822
• Molecular Formula: C26H23ClN2O3S
• Molecular Weight: 479.00 g/mol
• Exact Mass: 478.11
• IUPAC Name: 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
• SMILES: COc1ccc(CCNC(=O)c2csc(-c3ccc(OCc4ccccc4Cl)cc3)n2)cc1
• InChI: InChI=1S/C26H23ClN2O3S/c1-31-21-10-6-18(7-11-21)14-15-28-25(30)24-17-33-26(29-24)19-8-12-22(13-9-19)32-16-20-4-2-3-5-23(20)27/h2-13,17H,14-16H2,1H3,(H,28,30)
• InChIKey: WFASIKLBUSACSW-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.00
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 42865822) is 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is COc1ccc(CCNC(=O)c2csc(-c3ccc(OCc4ccccc4Cl)cc3)n2)cc1.

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

The InChIKey is WFASIKLBUSACSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O3S/c1-31-21-10-6-18(7-11-21)14-15-28-25(30)24-17-33-26(29-24)19-8-12-22(13-9-19)32-16-20-4-2-3-5-23(20)27/h2-13,17H,14-16H2,1H3,(H,28,30).

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

2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 479.00 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42865822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).