3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one

C10H8N2O2S — CID 164644661

IUPAC3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one
SMILESCC(=O)c1cnc(-c2ccc[nH]c2=O)s1
InChIInChI=1S/C10H8N2O2S/c1-6(13)8-5-12-10(15-8)7-3-2-4-11-9(7)14/h2-5H,1H3,(H,11,14)
InChIKeyLUFUUWPZPYJIDW-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.70
Rot. Bonds2

About 3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one

3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one (PubChem CID 164644661) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one
PubChem CID164644661
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one
SMILESCC(=O)c1cnc(-c2ccc[nH]c2=O)s1
InChIInChI=1S/C10H8N2O2S/c1-6(13)8-5-12-10(15-8)7-3-2-4-11-9(7)14/h2-5H,1H3,(H,11,14)
InChIKeyLUFUUWPZPYJIDW-UHFFFAOYSA-N
XLogP1.70
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide
CID 143454822
2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde
CID 58504294
N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide
CID 139564934
(Z)-4-amino-3-[5-[(3E)-penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]but-3-en-2-one
CID 164547813
4-amino-3-[5-[(3E)-penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]but-3-en-2-one
CID 174019339
3-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyridin-2-one
CID 178687090
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 61280072
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 71994030
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 72047098
2-tert-butyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 72047425
1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide
CID 86836265
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103709177

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one (CID 164644661) is 3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one is CC(=O)c1cnc(-c2ccc[nH]c2=O)s1.
What is the InChIKey of 3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one?
The InChIKey is LUFUUWPZPYJIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6(13)8-5-12-10(15-8)7-3-2-4-11-9(7)14/h2-5H,1H3,(H,11,14).
What are the key properties of 3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one?
3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one has a molecular weight of 220.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetyl-1,3-thiazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 164644661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).