N-[4-[2-oxo-2-[N-(thiophen-3-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C21H17N3O3S2 — CID 86878097

About N-[4-[2-oxo-2-[N-(thiophen-3-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-oxo-2-[N-(thiophen-3-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 86878097) has the molecular formula C21H17N3O3S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[N-(thiophen-3-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-[N-(thiophen-3-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 86878097
• Molecular Formula: C21H17N3O3S2
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.07
• IUPAC Name: N-[4-[2-oxo-2-[N-(thiophen-3-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: O=C(Nc1nc(CC(=O)N(Cc2ccsc2)c2ccccc2)cs1)c1ccco1
• InChI: InChI=1S/C21H17N3O3S2/c25-19(24(12-15-8-10-28-13-15)17-5-2-1-3-6-17)11-16-14-29-21(22-16)23-20(26)18-7-4-9-27-18/h1-10,13-14H,11-12H2,(H,22,23,26)
• InChIKey: GBDNULDIKIKDCI-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-oxo-2-[N-(thiophen-3-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 86878097) is N-[4-[2-oxo-2-[N-(thiophen-3-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[4-[2-oxo-2-[N-(thiophen-3-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(CC(=O)N(Cc2ccsc2)c2ccccc2)cs1)c1ccco1.

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

The InChIKey is GBDNULDIKIKDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S2/c25-19(24(12-15-8-10-28-13-15)17-5-2-1-3-6-17)11-16-14-29-21(22-16)23-20(26)18-7-4-9-27-18/h1-10,13-14H,11-12H2,(H,22,23,26).

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

N-[4-[2-oxo-2-[N-(thiophen-3-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-[N-(thiophen-3-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86878097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).