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

C21H17N3O3S2 — CID 32617949

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

N-[4-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide (PubChem CID 32617949) has the molecular formula C21H17N3O3S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[4-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
• PubChem CID: 32617949
• Molecular Formula: C21H17N3O3S2
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.07
• IUPAC Name: N-[4-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
• SMILES: CC(=O)NCc1ccc(-c2csc(-c3ccc(NC(=O)c4ccco4)cc3)n2)s1
• InChI: InChI=1S/C21H17N3O3S2/c1-13(25)22-11-16-8-9-19(29-16)17-12-28-21(24-17)14-4-6-15(7-5-14)23-20(26)18-3-2-10-27-18/h2-10,12H,11H2,1H3,(H,22,25)(H,23,26)
• InChIKey: ZCBLTJWYCBPAEQ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide (CID 32617949) is N-[4-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide.

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

The canonical SMILES for N-[4-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide is CC(=O)NCc1ccc(-c2csc(-c3ccc(NC(=O)c4ccco4)cc3)n2)s1.

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

The InChIKey is ZCBLTJWYCBPAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S2/c1-13(25)22-11-16-8-9-19(29-16)17-12-28-21(24-17)14-4-6-15(7-5-14)23-20(26)18-3-2-10-27-18/h2-10,12H,11H2,1H3,(H,22,25)(H,23,26).

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

N-[4-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 32617949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).