2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C14H15F2N5OS2 — CID 2601799

IUPAC2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESNn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1C1CC1
InChIInChI=1S/C14H15F2N5OS2/c15-13(16)24-10-5-3-9(4-6-10)18-11(22)7-23-14-20-19-12(21(14)17)8-1-2-8/h3-6,8,13H,1-2,7,17H2,(H,18,22)
InChIKeyVSJDWAUSZHZJLG-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.91
Rot. Bonds7

About 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 2601799) has the molecular formula C14H15F2N5OS2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID2601799
Molecular FormulaC14H15F2N5OS2
Molecular Weight371.44 g/mol
Exact Mass371.07
IUPAC Name2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESNn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1C1CC1
InChIInChI=1S/C14H15F2N5OS2/c15-13(16)24-10-5-3-9(4-6-10)18-11(22)7-23-14-20-19-12(21(14)17)8-1-2-8/h3-6,8,13H,1-2,7,17H2,(H,18,22)
InChIKeyVSJDWAUSZHZJLG-UHFFFAOYSA-N
XLogP2.91
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 2601799) is 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is Nn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1C1CC1.
What is the InChIKey of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is VSJDWAUSZHZJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5OS2/c15-13(16)24-10-5-3-9(4-6-10)18-11(22)7-23-14-20-19-12(21(14)17)8-1-2-8/h3-6,8,13H,1-2,7,17H2,(H,18,22).
What are the key properties of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 2601799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).