N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C21H22N4O4S2 — CID 35711618

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 35711618) has the molecular formula C21H22N4O4S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
• PubChem CID: 35711618
• Molecular Formula: C21H22N4O4S2
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.11
• IUPAC Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)n2)s1
• InChI: InChI=1S/C21H22N4O4S2/c1-13(26)22-10-16-2-3-18(31-16)17-12-30-21(23-17)24-19(27)14-4-7-25(8-5-14)20(28)15-6-9-29-11-15/h2-3,6,9,11-12,14H,4-5,7-8,10H2,1H3,(H,22,26)(H,23,24,27)
• InChIKey: PMCUZBNLEKILLO-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 35711618) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)n2)s1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?

The InChIKey is PMCUZBNLEKILLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S2/c1-13(26)22-10-16-2-3-18(31-16)17-12-30-21(23-17)24-19(27)14-4-7-25(8-5-14)20(28)15-6-9-29-11-15/h2-3,6,9,11-12,14H,4-5,7-8,10H2,1H3,(H,22,26)(H,23,24,27).

What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 35711618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).