ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate

C12H12N2O4S — CID 54742342

IUPACethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-n2ccc(O)cc2=O)nc1C
InChIInChI=1S/C12H12N2O4S/c1-3-18-11(17)10-7(2)13-12(19-10)14-5-4-8(15)6-9(14)16/h4-6,15H,3H2,1-2H3
InChIKeyQYJYFMSGKQYFMS-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.48
Rot. Bonds3

About ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 54742342) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID54742342
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Nameethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-n2ccc(O)cc2=O)nc1C
InChIInChI=1S/C12H12N2O4S/c1-3-18-11(17)10-7(2)13-12(19-10)14-5-4-8(15)6-9(14)16/h4-6,15H,3H2,1-2H3
InChIKeyQYJYFMSGKQYFMS-UHFFFAOYSA-N
XLogP1.48
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one
CID 159389726
N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 89313211
ethyl 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 24951183
1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one
CID 71148421
ethyl 2-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 4733551
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 168708241
ethyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 168659314
ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 58031520
ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 73213190

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 54742342) is ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-n2ccc(O)cc2=O)nc1C.
What is the InChIKey of ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is QYJYFMSGKQYFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-3-18-11(17)10-7(2)13-12(19-10)14-5-4-8(15)6-9(14)16/h4-6,15H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 280.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 54742342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).