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

C8H7N3S — CID 23346364

IUPAC2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole
SMILESCc1nnc(-c2ccncc2)s1
InChIInChI=1S/C8H7N3S/c1-6-10-11-8(12-6)7-2-4-9-5-3-7/h2-5H,1H3
InChIKeyQLFKIXOYEGXBKO-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.91
Rot. Bonds1

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

2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole (PubChem CID 23346364) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole
PubChem CID23346364
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole
SMILESCc1nnc(-c2ccncc2)s1
InChIInChI=1S/C8H7N3S/c1-6-10-11-8(12-6)7-2-4-9-5-3-7/h2-5H,1H3
InChIKeyQLFKIXOYEGXBKO-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

2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole
CID 22899617
(1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine
CID 178138250
bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone
CID 174585752
2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole
CID 22899620
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole
CID 13171497
4-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylaniline
CID 165056406
2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 135395773
5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 5147983
3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline
CID 16763184
5-(5-methyl-1,3,4-thiadiazol-2-yl)pyridin-3-ol
CID 135396150
5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
CID 137287503

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole (CID 23346364) is 2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole is Cc1nnc(-c2ccncc2)s1.
What is the InChIKey of 2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole?
The InChIKey is QLFKIXOYEGXBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c1-6-10-11-8(12-6)7-2-4-9-5-3-7/h2-5H,1H3.
What are the key properties of 2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole?
2-methyl-5-pyridin-4-yl-1,3,4-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 2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole is sourced from PubChem (CID 23346364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).