ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate

C12H12N2O2S — CID 112693784

IUPACethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccncc2)sc1C
InChIInChI=1S/C12H12N2O2S/c1-3-16-12(15)10-8(2)17-11(14-10)9-4-6-13-7-5-9/h4-7H,3H2,1-2H3
InChIKeyJKRCNWSVLIVDKK-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.69
Rot. Bonds3

About ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate (PubChem CID 112693784) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
PubChem CID112693784
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Nameethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccncc2)sc1C
InChIInChI=1S/C12H12N2O2S/c1-3-16-12(15)10-8(2)17-11(14-10)9-4-6-13-7-5-9/h4-7H,3H2,1-2H3
InChIKeyJKRCNWSVLIVDKK-UHFFFAOYSA-N
XLogP2.69
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 116526123
ethyl 5-methyl-2-(4-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 116526178
ethyl 2-(3-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526219
ethyl 2-(3-bromo-5-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 58127634
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 5-methyl-2-(5-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxylate
CID 116526280
ethyl 2-pyridin-4-yl-1,3-benzothiazole-6-carboxylate
CID 95909727
ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 116526130
tetraethyl 4-pyridin-4-ylpyridine-2,3,5,6-tetracarboxylate
CID 4086243
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate
CID 116526054
ethyl 2-(4-bromo-5-methylthiophen-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 102842068

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate (CID 112693784) is ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2ccncc2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate?
The InChIKey is JKRCNWSVLIVDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-3-16-12(15)10-8(2)17-11(14-10)9-4-6-13-7-5-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate has a molecular weight of 248.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 112693784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).