N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C18H14F3N3O2S3 — CID 55514368

About N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 55514368) has the molecular formula C18H14F3N3O2S3 and a molecular weight of 457.52 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 55514368
• Molecular Formula: C18H14F3N3O2S3
• Molecular Weight: 457.52 g/mol
• Exact Mass: 457.02
• IUPAC Name: N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccccc1SCC(F)(F)F
• InChI: InChI=1S/C18H14F3N3O2S3/c19-18(20,21)10-29-13-5-2-1-4-12(13)23-15(25)8-11-9-28-17(22-11)24-16(26)14-6-3-7-27-14/h1-7,9H,8,10H2,(H,23,25)(H,22,24,26)
• InChIKey: USMNVYXEUMTXIK-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.52
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 55514368) is N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccccc1SCC(F)(F)F.

What is the InChIKey of N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is USMNVYXEUMTXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S3/c19-18(20,21)10-29-13-5-2-1-4-12(13)23-15(25)8-11-9-28-17(22-11)24-16(26)14-6-3-7-27-14/h1-7,9H,8,10H2,(H,23,25)(H,22,24,26).

What are the key properties of N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 457.52 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55514368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).