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

C13H8ClN5OS — CID 75454692

IUPAC3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)ns1)c1ccncc1Cl
InChIInChI=1S/C13H8ClN5OS/c14-10-7-16-6-3-9(10)12(20)18-13-17-11(19-21-13)8-1-4-15-5-2-8/h1-7H,(H,17,18,19,20)
InChIKeyRVKKUQVHHMIKKM-UHFFFAOYSA-N
MW317.76 g/mol
LogP2.90
Rot. Bonds3

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

3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide (PubChem CID 75454692) has the molecular formula C13H8ClN5OS and a molecular weight of 317.76 g/mol. Its IUPAC name is 3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
PubChem CID75454692
Molecular FormulaC13H8ClN5OS
Molecular Weight317.76 g/mol
Exact Mass317.01
IUPAC Name3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)ns1)c1ccncc1Cl
InChIInChI=1S/C13H8ClN5OS/c14-10-7-16-6-3-9(10)12(20)18-13-17-11(19-21-13)8-1-4-15-5-2-8/h1-7H,(H,17,18,19,20)
InChIKeyRVKKUQVHHMIKKM-UHFFFAOYSA-N
XLogP2.90
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide
CID 99718268
3-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 66484720
3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 146076485
1-(3-ethylpentan-3-yl)-3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)urea
CID 75457778
4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
CID 154799929
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642
3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 66483121
3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide
CID 66483517
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide
CID 167960338
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951
3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide
CID 137152670

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide (CID 75454692) is 3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide is O=C(Nc1nc(-c2ccncc2)ns1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
The InChIKey is RVKKUQVHHMIKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5OS/c14-10-7-16-6-3-9(10)12(20)18-13-17-11(19-21-13)8-1-4-15-5-2-8/h1-7H,(H,17,18,19,20).
What are the key properties of 3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide has a molecular weight of 317.76 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 75454692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).