2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

C19H18N4OS2 — CID 8780620

About 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 8780620) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
• PubChem CID: 8780620
• Molecular Formula: C19H18N4OS2
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.09
• IUPAC Name: 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
• SMILES: Cc1nc2ccc(NC(=O)CS[C@@H](C)c3nc4ccccc4[nH]3)cc2s1
• InChI: InChI=1S/C19H18N4OS2/c1-11(19-22-14-5-3-4-6-15(14)23-19)25-10-18(24)21-13-7-8-16-17(9-13)26-12(2)20-16/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)/t11-/m0/s1
• InChIKey: RFXNUSJZIZTPRT-NSHDSACASA-N
• XLogP: 4.91
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 8780620) is 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

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

The canonical SMILES for 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is Cc1nc2ccc(NC(=O)CS[C@@H](C)c3nc4ccccc4[nH]3)cc2s1.

What is the InChIKey of 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?

The InChIKey is RFXNUSJZIZTPRT-NSHDSACASA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-11(19-22-14-5-3-4-6-15(14)23-19)25-10-18(24)21-13-7-8-16-17(9-13)26-12(2)20-16/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)/t11-/m0/s1.

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

2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 382.51 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 8780620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).