(2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

C19H16N4O2S2 — CID 40829927

About (2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

(2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 40829927) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is (2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: (2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 40829927
• Molecular Formula: C19H16N4O2S2
• Molecular Weight: 396.50 g/mol
• Exact Mass: 396.07
• IUPAC Name: (2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
• SMILES: COc1ccc2nc(S[C@H](C(=O)Nc3nccs3)c3ccccc3)[nH]c2c1
• InChI: InChI=1S/C19H16N4O2S2/c1-25-13-7-8-14-15(11-13)22-19(21-14)27-16(12-5-3-2-4-6-12)17(24)23-18-20-9-10-26-18/h2-11,16H,1H3,(H,21,22)(H,20,23,24)/t16-/m0/s1
• InChIKey: ORSHENGXQPFGRU-INIZCTEOSA-N
• XLogP: 4.50
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.50
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of (2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (CID 40829927) is (2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for (2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for (2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is COc1ccc2nc(S[C@H](C(=O)Nc3nccs3)c3ccccc3)[nH]c2c1.

What is the InChIKey of (2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is ORSHENGXQPFGRU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-25-13-7-8-14-15(11-13)22-19(21-14)27-16(12-5-3-2-4-6-12)17(24)23-18-20-9-10-26-18/h2-11,16H,1H3,(H,21,22)(H,20,23,24)/t16-/m0/s1.

What are the key properties of (2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?

(2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 396.50 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 40829927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).