2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C22H16ClFN2O3S — CID 46066774

About 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46066774) has the molecular formula C22H16ClFN2O3S and a molecular weight of 442.90 g/mol. Its IUPAC name is 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 46066774
• Molecular Formula: C22H16ClFN2O3S
• Molecular Weight: 442.90 g/mol
• Exact Mass: 442.06
• IUPAC Name: 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
• SMILES: O=C(NCc1ccco1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2Cl)n1
• InChI: InChI=1S/C22H16ClFN2O3S/c23-19-10-16(29-12-14-3-1-4-15(24)9-14)6-7-18(19)22-26-20(13-30-22)21(27)25-11-17-5-2-8-28-17/h1-10,13H,11-12H2,(H,25,27)
• InChIKey: WXJFDVRETLZWNL-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.90
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 46066774) is 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccco1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2Cl)n1.

What is the InChIKey of 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?

The InChIKey is WXJFDVRETLZWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O3S/c23-19-10-16(29-12-14-3-1-4-15(24)9-14)6-7-18(19)22-26-20(13-30-22)21(27)25-11-17-5-2-8-28-17/h1-10,13H,11-12H2,(H,25,27).

What are the key properties of 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?

2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 442.90 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).