6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C11H9ClN4OS — CID 2089892

IUPAC6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)nc1
InChIInChI=1S/C11H9ClN4OS/c12-8-4-3-7(5-13-8)9(17)14-11-16-15-10(18-11)6-1-2-6/h3-6H,1-2H2,(H,14,16,17)
InChIKeyHSMPOWBTSKLEHX-UHFFFAOYSA-N
MW280.74 g/mol
LogP2.72
Rot. Bonds3

About 6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 2089892) has the molecular formula C11H9ClN4OS and a molecular weight of 280.74 g/mol. Its IUPAC name is 6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID2089892
Molecular FormulaC11H9ClN4OS
Molecular Weight280.74 g/mol
Exact Mass280.02
IUPAC Name6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)nc1
InChIInChI=1S/C11H9ClN4OS/c12-8-4-3-7(5-13-8)9(17)14-11-16-15-10(18-11)6-1-2-6/h3-6H,1-2H2,(H,14,16,17)
InChIKeyHSMPOWBTSKLEHX-UHFFFAOYSA-N
XLogP2.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide 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 6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 2089892) is 6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is HSMPOWBTSKLEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4OS/c12-8-4-3-7(5-13-8)9(17)14-11-16-15-10(18-11)6-1-2-6/h3-6H,1-2H2,(H,14,16,17).
What are the key properties of 6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 280.74 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2089892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).