2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C19H18N4OS2 — CID 40757214

About 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 40757214) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 40757214
• Molecular Formula: C19H18N4OS2
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.09
• IUPAC Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
• SMILES: Cc1ccc2nc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)sc2c1
• InChI: InChI=1S/C19H18N4OS2/c1-10-5-6-15-16(7-10)26-19(22-15)23-17(24)9-25-18-14(8-20)12(3)11(2)13(4)21-18/h5-7H,9H2,1-4H3,(H,22,23,24)
• InChIKey: QPAMJJXMLVXXJN-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 40757214) is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)sc2c1.

What is the InChIKey of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is QPAMJJXMLVXXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-10-5-6-15-16(7-10)26-19(22-15)23-17(24)9-25-18-14(8-20)12(3)11(2)13(4)21-18/h5-7H,9H2,1-4H3,(H,22,23,24).

What are the key properties of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 382.51 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 40757214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).