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

C22H20N4O3S2 — CID 24570817

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 24570817) has the molecular formula C22H20N4O3S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
• PubChem CID: 24570817
• Molecular Formula: C22H20N4O3S2
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.10
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccc(C)cc4)n3)n2)o1
• InChI: InChI=1S/C22H20N4O3S2/c1-13-3-5-15(6-4-13)21-24-16(11-30-21)9-20(28)26-22-25-18(12-31-22)19-8-7-17(29-19)10-23-14(2)27/h3-8,11-12H,9-10H2,1-2H3,(H,23,27)(H,25,26,28)
• InChIKey: RXVDOCJOYBQIRS-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 24570817) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

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

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccc(C)cc4)n3)n2)o1.

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

The InChIKey is RXVDOCJOYBQIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S2/c1-13-3-5-15(6-4-13)21-24-16(11-30-21)9-20(28)26-22-25-18(12-31-22)19-8-7-17(29-19)10-23-14(2)27/h3-8,11-12H,9-10H2,1-2H3,(H,23,27)(H,25,26,28).

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 452.56 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 24570817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).