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

C8H7N3S — CID 14763500

IUPAC3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole
SMILESCc1nsc(-c2cccnc2)n1
InChIInChI=1S/C8H7N3S/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h2-5H,1H3
InChIKeyPLRFDKKPAQZTFT-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.91
Rot. Bonds1

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

3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole (PubChem CID 14763500) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole
PubChem CID14763500
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole
SMILESCc1nsc(-c2cccnc2)n1
InChIInChI=1S/C8H7N3S/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h2-5H,1H3
InChIKeyPLRFDKKPAQZTFT-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

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Related Compounds

N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
5-pyridin-3-yl-1,2,4-thiadiazole
CID 12600754
3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
CID 155711786
ethane;2-methyl-6-pyridin-3-ylpyridine
CID 144687863
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
2-methyl-4-pyridin-3-yl-1,3-oxazole
CID 19018561
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
cyclopenta[c]azepine
CID 638010
3-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133443819
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-amine
CID 14045777

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole (CID 14763500) is 3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole is Cc1nsc(-c2cccnc2)n1.
What is the InChIKey of 3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole?
The InChIKey is PLRFDKKPAQZTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h2-5H,1H3.
What are the key properties of 3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole?
3-methyl-5-pyridin-3-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-3-yl-1,2,4-thiadiazole is sourced from PubChem (CID 14763500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).