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

C24H18N4O4S2 — CID 36799563

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 36799563) has the molecular formula C24H18N4O4S2 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
• PubChem CID: 36799563
• Molecular Formula: C24H18N4O4S2
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.08
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3sc(-c4ccco4)nc3-c3ccccc3)n2)o1
• InChI: InChI=1S/C24H18N4O4S2/c1-14(29)25-12-16-9-10-18(32-16)17-13-33-24(26-17)28-22(30)21-20(15-6-3-2-4-7-15)27-23(34-21)19-8-5-11-31-19/h2-11,13H,12H2,1H3,(H,25,29)(H,26,28,30)
• InChIKey: JTRRZJKVPSRAOU-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 36799563) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3sc(-c4ccco4)nc3-c3ccccc3)n2)o1.

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

The InChIKey is JTRRZJKVPSRAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4S2/c1-14(29)25-12-16-9-10-18(32-16)17-13-33-24(26-17)28-22(30)21-20(15-6-3-2-4-7-15)27-23(34-21)19-8-5-11-31-19/h2-11,13H,12H2,1H3,(H,25,29)(H,26,28,30).

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 36799563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).