2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one

C9H8N2OS — CID 126975818

IUPAC2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one
SMILESCc1ccncc1C1=NC(=O)CS1
InChIInChI=1S/C9H8N2OS/c1-6-2-3-10-4-7(6)9-11-8(12)5-13-9/h2-4H,5H2,1H3
InChIKeyVIIAPLPYZRJUOY-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.41
Rot. Bonds1

About 2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one

2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one (PubChem CID 126975818) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one
PubChem CID126975818
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one
SMILESCc1ccncc1C1=NC(=O)CS1
InChIInChI=1S/C9H8N2OS/c1-6-2-3-10-4-7(6)9-11-8(12)5-13-9/h2-4H,5H2,1H3
InChIKeyVIIAPLPYZRJUOY-UHFFFAOYSA-N
XLogP1.41
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one
CID 22758242
2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one
CID 130518036
6-(4-methyl-3-pyridinyl)-1H-pyrimidin-2-one
CID 106518941
1-methyl-2-(4-methyl-3-pyridinyl)imidazol-4-ol
CID 106952509
3-(3,5-dimethylphenyl)-4-methylpyridine
CID 102097764
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde
CID 91664691
1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium
CID 123509161
5,5-dimethyl-6,7-dihydroisoquinolin-8-one
CID 12648560
2-bromo-6-(4-methyl-3-pyridinyl)pyridine
CID 66273601
2-(4-methyl-3-pyridinyl)aniline
CID 65438543
3-(2-fluorophenyl)-4-methylpyridine
CID 46313062

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one?
The IUPAC name of 2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one (CID 126975818) is 2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one is Cc1ccncc1C1=NC(=O)CS1.
What is the InChIKey of 2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one?
The InChIKey is VIIAPLPYZRJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-2-3-10-4-7(6)9-11-8(12)5-13-9/h2-4H,5H2,1H3.
What are the key properties of 2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one?
2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one has a molecular weight of 192.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one is sourced from PubChem (CID 126975818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).