3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole

C8H7N3S — CID 12600756

IUPAC3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole
SMILESCc1nsc(-c2ccncc2)n1
InChIInChI=1S/C8H7N3S/c1-6-10-8(12-11-6)7-2-4-9-5-3-7/h2-5H,1H3
InChIKeyMLRNIXKWTAAFJT-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.91
Rot. Bonds1

About 3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole

3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole (PubChem CID 12600756) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole
PubChem CID12600756
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole
SMILESCc1nsc(-c2ccncc2)n1
InChIInChI=1S/C8H7N3S/c1-6-10-8(12-11-6)7-2-4-9-5-3-7/h2-5H,1H3
InChIKeyMLRNIXKWTAAFJT-UHFFFAOYSA-N
XLogP1.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole 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

Mls000737238
CID 266151
1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-methyl-3-(4-pyridinyl)-
CID 1950713
3,5-Dipyridin-3-yl-1,2,4-thiadiazole
CID 10538018
4-[(2-Methyl-1H-imidazol-1-yl)methyl]pyridine
CID 52949342
3-Methyl-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 666150
N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-N-(3-pyridinylmethylene)amine
CID 6887464
5-(3-Bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole
CID 57403526
6-(4-Pyridyl)-1,3,5-triazine-2,4-diamine
CID 99551
3-(Pyridin-3-yl)-1,2,4-thiadiazol-5-amine
CID 21486262
3-(Pyridin-2-yl)-1,2,4-thiadiazol-5-amine
CID 21688995
3-(Pyridin-4-yl)-1,2,4-thiadiazol-5-amine
CID 21928493
4-(4-methyl-4H-1,2,4-triazol-3-yl)pyridine
CID 21853004

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole (CID 12600756) is 3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole is Cc1nsc(-c2ccncc2)n1.
What is the InChIKey of 3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole?
The InChIKey is MLRNIXKWTAAFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c1-6-10-8(12-11-6)7-2-4-9-5-3-7/h2-5H,1H3.
What are the key properties of 3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole?
3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole has a molecular weight of 177.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyridin-4-yl-1,2,4-thiadiazole is sourced from PubChem (CID 12600756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).