ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate

C16H14N2O2S — CID 116526054

IUPACethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc3cccnc23)sc1C
InChIInChI=1S/C16H14N2O2S/c1-3-20-16(19)13-10(2)21-15(18-13)12-8-4-6-11-7-5-9-17-14(11)12/h4-9H,3H2,1-2H3
InChIKeyBTOQLSGMBOCYSQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.84
Rot. Bonds3

About ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate (PubChem CID 116526054) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate
PubChem CID116526054
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Nameethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc3cccnc23)sc1C
InChIInChI=1S/C16H14N2O2S/c1-3-20-16(19)13-10(2)21-15(18-13)12-8-4-6-11-7-5-9-17-14(11)12/h4-9H,3H2,1-2H3
InChIKeyBTOQLSGMBOCYSQ-UHFFFAOYSA-N
XLogP3.84
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 116526140
ethyl 5-methyl-2-(2-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 116526243
ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
CID 112693784
methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115959773
ethyl 2-(2-fluoro-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526312
ethyl 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526244
ethyl 5-methyl-2-(5-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxylate
CID 116526280
ethyl 2-(2-chloro-6-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526266
ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 116526130
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 5-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 116526123

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate (CID 116526054) is ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2cccc3cccnc23)sc1C.
What is the InChIKey of ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate?
The InChIKey is BTOQLSGMBOCYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-3-20-16(19)13-10(2)21-15(18-13)12-8-4-6-11-7-5-9-17-14(11)12/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate has a molecular weight of 298.37 g/mol, XLogP of 3.84, 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-quinolin-8-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).