methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate

C12H10FNO2S — CID 115422946

IUPACmethyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2F)sc1C
InChIInChI=1S/C12H10FNO2S/c1-7-10(12(15)16-2)14-11(17-7)8-5-3-4-6-9(8)13/h3-6H,1-2H3
InChIKeyVLCBYLHNZMISCD-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.04
Rot. Bonds2

About methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115422946) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115422946
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Namemethyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2F)sc1C
InChIInChI=1S/C12H10FNO2S/c1-7-10(12(15)16-2)14-11(17-7)8-5-3-4-6-9(8)13/h3-6H,1-2H3
InChIKeyVLCBYLHNZMISCD-UHFFFAOYSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306543
methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422349
methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate
CID 115422841
methyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306502
methyl 2-(2-bromo-5-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306372
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115422266
methyl 2-isoquinolin-1-yl-5-methyl-1,3-thiazole-4-carboxylate
CID 115422844
ethyl 2-(2-fluoro-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526312
ethyl 5-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 116526140
methyl 2-(2,6-dimethyl-4-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 107502186
methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
CID 167450752

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate (CID 115422946) is methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2ccccc2F)sc1C.
What is the InChIKey of methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is VLCBYLHNZMISCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-7-10(12(15)16-2)14-11(17-7)8-5-3-4-6-9(8)13/h3-6H,1-2H3.
What are the key properties of methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).