N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide

C23H24N4OS2 — CID 27260322

About N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 27260322) has the molecular formula C23H24N4OS2 and a molecular weight of 436.61 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
• PubChem CID: 27260322
• Molecular Formula: C23H24N4OS2
• Molecular Weight: 436.61 g/mol
• Exact Mass: 436.14
• IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
• SMILES: CSCC[C@H](NC(=O)Cc1csc(-c2ccc(C)cc2)n1)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C23H24N4OS2/c1-15-7-9-16(10-8-15)23-24-17(14-30-23)13-21(28)25-20(11-12-29-2)22-26-18-5-3-4-6-19(18)27-22/h3-10,14,20H,11-13H2,1-2H3,(H,25,28)(H,26,27)/t20-/m0/s1
• InChIKey: GTRHHUCOSCOYPH-FQEVSTJZSA-N
• XLogP: 5.15
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.61
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 27260322) is N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is CSCC[C@H](NC(=O)Cc1csc(-c2ccc(C)cc2)n1)c1nc2ccccc2[nH]1.

What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?

The InChIKey is GTRHHUCOSCOYPH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N4OS2/c1-15-7-9-16(10-8-15)23-24-17(14-30-23)13-21(28)25-20(11-12-29-2)22-26-18-5-3-4-6-19(18)27-22/h3-10,14,20H,11-13H2,1-2H3,(H,25,28)(H,26,27)/t20-/m0/s1.

What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 436.61 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 27260322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).