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

C19H15N3O4S — CID 51263111

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 51263111) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 51263111
• Molecular Formula: C19H15N3O4S
• Molecular Weight: 381.41 g/mol
• Exact Mass: 381.08
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)o1
• InChI: InChI=1S/C19H15N3O4S/c1-11(23)20-9-13-6-7-16(25-13)14-10-27-19(21-14)22-18(24)17-8-12-4-2-3-5-15(12)26-17/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22,24)
• InChIKey: OQSVAUPWDLHBKH-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 97.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.41
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (CID 51263111) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

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

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)o1.

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

The InChIKey is OQSVAUPWDLHBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-11(23)20-9-13-6-7-16(25-13)14-10-27-19(21-14)22-18(24)17-8-12-4-2-3-5-15(12)26-17/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22,24).

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51263111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).