ethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate

C13H12FNO2S — CID 139219541

IUPACethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2c(C)cccc2F)n1
InChIInChI=1S/C13H12FNO2S/c1-3-17-13(16)10-7-18-12(15-10)11-8(2)5-4-6-9(11)14/h4-7H,3H2,1-2H3
InChIKeyBFLREELTIWDOKY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.43
Rot. Bonds3

About ethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate

ethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 139219541) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID139219541
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Nameethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2c(C)cccc2F)n1
InChIInChI=1S/C13H12FNO2S/c1-3-17-13(16)10-7-18-12(15-10)11-8(2)5-4-6-9(11)14/h4-7H,3H2,1-2H3
InChIKeyBFLREELTIWDOKY-UHFFFAOYSA-N
XLogP3.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-Phenyl-4-carboxythiazole
CID 138928
Ethyl 2-(4-nitrophenyl)thiazole-4-carboxylate
CID 3742475
2-(4-Fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 4962882
Ethyl 2-(2,4-difluorophenyl)thiazole-4-carboxylate
CID 2737174
[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]methyl pivalate
CID 2814901
Ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 2763627
US10626095, Example 989
CID 122476431
2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623074
2-(2,6-Difluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 24278454
Benzyl 2-phenylthiazole-4-carboxylate
CID 8278199
Ethyl 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 2744219

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate (CID 139219541) is ethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2c(C)cccc2F)n1.
What is the InChIKey of ethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is BFLREELTIWDOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-3-17-13(16)10-7-18-12(15-10)11-8(2)5-4-6-9(11)14/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 139219541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).