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

C21H18N4O2S3 — CID 55668720

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

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide (PubChem CID 55668720) has the molecular formula C21H18N4O2S3 and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
• PubChem CID: 55668720
• Molecular Formula: C21H18N4O2S3
• Molecular Weight: 454.60 g/mol
• Exact Mass: 454.06
• IUPAC Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3csc(Cc4ccccc4)n3)n2)s1
• InChI: InChI=1S/C21H18N4O2S3/c1-13(26)22-10-15-7-8-18(30-15)16-11-29-21(24-16)25-20(27)17-12-28-19(23-17)9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,22,26)(H,24,25,27)
• InChIKey: PEVZALPAWFWVNO-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.60
LogP ≤ 5	4.81
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]-2-benzyl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide (CID 55668720) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3csc(Cc4ccccc4)n3)n2)s1.

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

The InChIKey is PEVZALPAWFWVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S3/c1-13(26)22-10-15-7-8-18(30-15)16-11-29-21(24-16)25-20(27)17-12-28-19(23-17)9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,22,26)(H,24,25,27).

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

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 4.81, 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)thiophen-2-yl]-1,3-thiazol-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55668720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).