N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C21H14F3N3O3S2 — CID 26062453

About N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 26062453) has the molecular formula C21H14F3N3O3S2 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
• PubChem CID: 26062453
• Molecular Formula: C21H14F3N3O3S2
• Molecular Weight: 477.49 g/mol
• Exact Mass: 477.04
• IUPAC Name: N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
• SMILES: O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
• InChI: InChI=1S/C21H14F3N3O3S2/c22-21(23,24)14-9-12(25-19(29)16-3-1-7-30-16)5-6-15(14)27-18(28)10-13-11-32-20(26-13)17-4-2-8-31-17/h1-9,11H,10H2,(H,25,29)(H,27,28)
• InChIKey: SVDAQJBQPDOPCP-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.49
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The IUPAC name of N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 26062453) is N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F.

What is the InChIKey of N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The InChIKey is SVDAQJBQPDOPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O3S2/c22-21(23,24)14-9-12(25-19(29)16-3-1-7-30-16)5-6-15(14)27-18(28)10-13-11-32-20(26-13)17-4-2-8-31-17/h1-9,11H,10H2,(H,25,29)(H,27,28).

What are the key properties of N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?

N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 26062453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).