3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide

C23H18N4OS2 — CID 23889540

About 3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide

3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 23889540) has the molecular formula C23H18N4OS2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 23889540
• Molecular Formula: C23H18N4OS2
• Molecular Weight: 430.56 g/mol
• Exact Mass: 430.09
• IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
• SMILES: O=C(CCSc1nc2ccccc2[nH]1)Nc1nc(-c2ccc3ccccc3c2)cs1
• InChI: InChI=1S/C23H18N4OS2/c28-21(11-12-29-22-24-18-7-3-4-8-19(18)25-22)27-23-26-20(14-30-23)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13-14H,11-12H2,(H,24,25)(H,26,27,28)
• InChIKey: YYSNVNAVWLREKA-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.56
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

The IUPAC name of 3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide (CID 23889540) is 3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide is O=C(CCSc1nc2ccccc2[nH]1)Nc1nc(-c2ccc3ccccc3c2)cs1.

What is the InChIKey of 3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

The InChIKey is YYSNVNAVWLREKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS2/c28-21(11-12-29-22-24-18-7-3-4-8-19(18)25-22)27-23-26-20(14-30-23)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13-14H,11-12H2,(H,24,25)(H,26,27,28).

What are the key properties of 3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 430.56 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 23889540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).