3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide

C25H22N4OS2 — CID 23917395

About 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide

3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 23917395) has the molecular formula C25H22N4OS2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 23917395
• Molecular Formula: C25H22N4OS2
• Molecular Weight: 458.61 g/mol
• Exact Mass: 458.12
• IUPAC Name: 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
• SMILES: CC(C)c1ccc(C#N)c(SCCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)n1
• InChI: InChI=1S/C25H22N4OS2/c1-16(2)21-10-9-20(14-26)24(27-21)31-12-11-23(30)29-25-28-22(15-32-25)19-8-7-17-5-3-4-6-18(17)13-19/h3-10,13,15-16H,11-12H2,1-2H3,(H,28,29,30)
• InChIKey: KHSQSJQSZJSYOE-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.61
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

The IUPAC name of 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide (CID 23917395) is 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide is CC(C)c1ccc(C#N)c(SCCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)n1.

What is the InChIKey of 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

The InChIKey is KHSQSJQSZJSYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4OS2/c1-16(2)21-10-9-20(14-26)24(27-21)31-12-11-23(30)29-25-28-22(15-32-25)19-8-7-17-5-3-4-6-18(17)13-19/h3-10,13,15-16H,11-12H2,1-2H3,(H,28,29,30).

What are the key properties of 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 458.61 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 23917395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).