4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one

C8H7N3OS — CID 15074070

IUPAC4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one
SMILESCn1c(-c2ccccn2)nsc1=O
InChIInChI=1S/C8H7N3OS/c1-11-7(10-13-8(11)12)6-4-2-3-5-9-6/h2-5H,1H3
InChIKeyDICJEFMTBYNSNY-UHFFFAOYSA-N
MW193.23 g/mol
LogP0.90
Rot. Bonds1

About 4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one

4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one (PubChem CID 15074070) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one.

Molecular Properties

Compound Name4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one
PubChem CID15074070
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one
SMILESCn1c(-c2ccccn2)nsc1=O
InChIInChI=1S/C8H7N3OS/c1-11-7(10-13-8(11)12)6-4-2-3-5-9-6/h2-5H,1H3
InChIKeyDICJEFMTBYNSNY-UHFFFAOYSA-N
XLogP0.90
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(1-methyl-5-phenylimidazol-2-yl)pyridine
CID 53243377
2-(1,3,5-trimethylpyrazol-4-yl)pyridine
CID 91021592
1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide
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(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine
CID 82125481
4-methyl-2-[(2-methylphenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-one
CID 121116951
2-(1,4-dimethylpyrrol-2-yl)pyridine;ethane
CID 143140664
2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 14748061
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid
CID 83821721
CID 119080360
CID 119080360

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one?
The IUPAC name of 4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one (CID 15074070) is 4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one.
What is the SMILES notation for 4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one?
The canonical SMILES for 4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one is Cn1c(-c2ccccn2)nsc1=O.
What is the InChIKey of 4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one?
The InChIKey is DICJEFMTBYNSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c1-11-7(10-13-8(11)12)6-4-2-3-5-9-6/h2-5H,1H3.
What are the key properties of 4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one?
4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one has a molecular weight of 193.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one is sourced from PubChem (CID 15074070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).