ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate

C12H12N2O2S — CID 104822748

IUPACethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(C)nc2)n1
InChIInChI=1S/C12H12N2O2S/c1-3-16-12(15)10-7-17-11(14-10)9-5-4-8(2)13-6-9/h4-7H,3H2,1-2H3
InChIKeyCOKISARIRUVKPJ-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.69
Rot. Bonds3

About ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate

ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate (PubChem CID 104822748) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
PubChem CID104822748
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Nameethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(C)nc2)n1
InChIInChI=1S/C12H12N2O2S/c1-3-16-12(15)10-7-17-11(14-10)9-5-4-8(2)13-6-9/h4-7H,3H2,1-2H3
InChIKeyCOKISARIRUVKPJ-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 2-(4-hexoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594268
ethyl 2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 114077100
ethyl 2-(3-bromo-4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 115565697
ethyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 137146915
methyl 2-(6-bromo-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498453
ethyl 2-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 53407355
ethyl 2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
CID 59345227
prop-2-enyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153448
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carboxylate
CID 53393346
ethyl 2-pyridin-1-ium-3-yl-1,3-thiazole-4-carboxylate;2-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;bromide
CID 157464019
methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
CID 166448386
prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153458

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate (CID 104822748) is ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccc(C)nc2)n1.
What is the InChIKey of ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate?
The InChIKey is COKISARIRUVKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-3-16-12(15)10-7-17-11(14-10)9-5-4-8(2)13-6-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(6-methyl-3-pyridinyl)-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 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 104822748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).