N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H15ClF3N5OS2 — CID 24674364

About N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 24674364) has the molecular formula C15H15ClF3N5OS2 and a molecular weight of 437.90 g/mol. Its IUPAC name is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• PubChem CID: 24674364
• Molecular Formula: C15H15ClF3N5OS2
• Molecular Weight: 437.90 g/mol
• Exact Mass: 437.04
• IUPAC Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• SMILES: O=C(CSc1nncn1C1CC1)NCCSc1ncc(C(F)(F)F)cc1Cl
• InChI: InChI=1S/C15H15ClF3N5OS2/c16-11-5-9(15(17,18)19)6-21-13(11)26-4-3-20-12(25)7-27-14-23-22-8-24(14)10-1-2-10/h5-6,8,10H,1-4,7H2,(H,20,25)
• InChIKey: ATODWLIQGOIUSZ-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.90
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 24674364) is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1nncn1C1CC1)NCCSc1ncc(C(F)(F)F)cc1Cl.

What is the InChIKey of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The InChIKey is ATODWLIQGOIUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N5OS2/c16-11-5-9(15(17,18)19)6-21-13(11)26-4-3-20-12(25)7-27-14-23-22-8-24(14)10-1-2-10/h5-6,8,10H,1-4,7H2,(H,20,25).

What are the key properties of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 437.90 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 24674364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).