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

C13H14N4OS — CID 2060551

IUPAC2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(C2CC2)n1-c1ccccc1
InChIInChI=1S/C13H14N4OS/c14-11(18)8-19-13-16-15-12(9-6-7-9)17(13)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,14,18)
InChIKeyUVWSHGPLKYIRGC-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.72
Rot. Bonds5

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

2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2060551) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2060551
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(C2CC2)n1-c1ccccc1
InChIInChI=1S/C13H14N4OS/c14-11(18)8-19-13-16-15-12(9-6-7-9)17(13)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,14,18)
InChIKeyUVWSHGPLKYIRGC-UHFFFAOYSA-N
XLogP1.72
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2060551) is 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1.
What is the InChIKey of 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is UVWSHGPLKYIRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-11(18)8-19-13-16-15-12(9-6-7-9)17(13)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,14,18).
What are the key properties of 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 274.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2060551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).