3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide

C10H13N5OS — CID 86815398

IUPAC3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCCn2cccn2)n1
InChIInChI=1S/C10H13N5OS/c1-8-13-10(17-14-8)9(16)11-4-2-6-15-7-3-5-12-15/h3,5,7H,2,4,6H2,1H3,(H,11,16)
InChIKeyQAYUVTJWPLHOHR-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.86
Rot. Bonds5

About 3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide

3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide (PubChem CID 86815398) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide
PubChem CID86815398
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCCn2cccn2)n1
InChIInChI=1S/C10H13N5OS/c1-8-13-10(17-14-8)9(16)11-4-2-6-15-7-3-5-12-15/h3,5,7H,2,4,6H2,1H3,(H,11,16)
InChIKeyQAYUVTJWPLHOHR-UHFFFAOYSA-N
XLogP0.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide (CID 86815398) is 3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCCCn2cccn2)n1.
What is the InChIKey of 3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is QAYUVTJWPLHOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-8-13-10(17-14-8)9(16)11-4-2-6-15-7-3-5-12-15/h3,5,7H,2,4,6H2,1H3,(H,11,16).
What are the key properties of 3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide?
3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 86815398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).