4-cyclopropyl-N-methoxythiadiazole-5-carboxamide

C7H9N3O2S — CID 130718638

IUPAC4-cyclopropyl-N-methoxythiadiazole-5-carboxamide
SMILESCONC(=O)c1snnc1C1CC1
InChIInChI=1S/C7H9N3O2S/c1-12-9-7(11)6-5(4-2-3-4)8-10-13-6/h4H,2-3H2,1H3,(H,9,11)
InChIKeyOLFJSPCBFHRLJN-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.71
Rot. Bonds3

About 4-cyclopropyl-N-methoxythiadiazole-5-carboxamide

4-cyclopropyl-N-methoxythiadiazole-5-carboxamide (PubChem CID 130718638) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-cyclopropyl-N-methoxythiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-methoxythiadiazole-5-carboxamide
PubChem CID130718638
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC Name4-cyclopropyl-N-methoxythiadiazole-5-carboxamide
SMILESCONC(=O)c1snnc1C1CC1
InChIInChI=1S/C7H9N3O2S/c1-12-9-7(11)6-5(4-2-3-4)8-10-13-6/h4H,2-3H2,1H3,(H,9,11)
InChIKeyOLFJSPCBFHRLJN-UHFFFAOYSA-N
XLogP0.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-methoxythiadiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-methoxythiadiazole-5-carboxamide (CID 130718638) is 4-cyclopropyl-N-methoxythiadiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-methoxythiadiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-methoxythiadiazole-5-carboxamide is CONC(=O)c1snnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-methoxythiadiazole-5-carboxamide?
The InChIKey is OLFJSPCBFHRLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-12-9-7(11)6-5(4-2-3-4)8-10-13-6/h4H,2-3H2,1H3,(H,9,11).
What are the key properties of 4-cyclopropyl-N-methoxythiadiazole-5-carboxamide?
4-cyclopropyl-N-methoxythiadiazole-5-carboxamide has a molecular weight of 199.23 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-methoxythiadiazole-5-carboxamide is sourced from PubChem (CID 130718638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).