2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

C24H18N6OS2 — CID 16549245

About 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (PubChem CID 16549245) has the molecular formula C24H18N6OS2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
• PubChem CID: 16549245
• Molecular Formula: C24H18N6OS2
• Molecular Weight: 470.58 g/mol
• Exact Mass: 470.10
• IUPAC Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
• SMILES: O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(-c2nccs2)cc1
• InChI: InChI=1S/C24H18N6OS2/c31-21(27-19-10-8-17(9-11-19)23-26-13-14-32-23)16-33-24-29-28-22(18-5-4-12-25-15-18)30(24)20-6-2-1-3-7-20/h1-15H,16H2,(H,27,31)
• InChIKey: AQRPTVSWJPTLCI-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.58
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?

The IUPAC name of 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (CID 16549245) is 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?

The canonical SMILES for 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(-c2nccs2)cc1.

What is the InChIKey of 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?

The InChIKey is AQRPTVSWJPTLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6OS2/c31-21(27-19-10-8-17(9-11-19)23-26-13-14-32-23)16-33-24-29-28-22(18-5-4-12-25-15-18)30(24)20-6-2-1-3-7-20/h1-15H,16H2,(H,27,31).

What are the key properties of 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?

2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide has a molecular weight of 470.58 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 16549245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).