2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide

C11H8N6OS — CID 51295625

IUPAC2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
SMILESO=C(Nc1nncs1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C11H8N6OS/c18-10(14-11-15-12-7-19-11)9-6-13-17(16-9)8-4-2-1-3-5-8/h1-7H,(H,14,15,18)
InChIKeyBQRCVSDHOZGWPZ-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.37
Rot. Bonds3

About 2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide

2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide (PubChem CID 51295625) has the molecular formula C11H8N6OS and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
PubChem CID51295625
Molecular FormulaC11H8N6OS
Molecular Weight272.29 g/mol
Exact Mass272.05
IUPAC Name2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
SMILESO=C(Nc1nncs1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C11H8N6OS/c18-10(14-11-15-12-7-19-11)9-6-13-17(16-9)8-4-2-1-3-5-8/h1-7H,(H,14,15,18)
InChIKeyBQRCVSDHOZGWPZ-UHFFFAOYSA-N
XLogP1.37
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide (CID 51295625) is 2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide is O=C(Nc1nncs1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide?
The InChIKey is BQRCVSDHOZGWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6OS/c18-10(14-11-15-12-7-19-11)9-6-13-17(16-9)8-4-2-1-3-5-8/h1-7H,(H,14,15,18).
What are the key properties of 2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide?
2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide has a molecular weight of 272.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 51295625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).