methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate

C12H10FNO2S — CID 172532469

IUPACmethyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc(C)cs2)cc1F
InChIInChI=1S/C12H10FNO2S/c1-7-6-17-11(14-7)8-3-4-9(10(13)5-8)12(15)16-2/h3-6H,1-2H3
InChIKeyJLBXOZXOQNTKMD-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.04
Rot. Bonds2

About methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate

methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate (PubChem CID 172532469) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate
PubChem CID172532469
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Namemethyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc(C)cs2)cc1F
InChIInChI=1S/C12H10FNO2S/c1-7-6-17-11(14-7)8-3-4-9(10(13)5-8)12(15)16-2/h3-6H,1-2H3
InChIKeyJLBXOZXOQNTKMD-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-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 113254544
methyl 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 172533149
methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 24659350
methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate
CID 110356107
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole
CID 82488398
2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride
CID 88921143
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349
methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate
CID 24659325
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8509270
methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonylbenzoate
CID 35395245
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate?
The IUPAC name of methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate (CID 172532469) is methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate.
What is the SMILES notation for methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate?
The canonical SMILES for methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate is COC(=O)c1ccc(-c2nc(C)cs2)cc1F.
What is the InChIKey of methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate?
The InChIKey is JLBXOZXOQNTKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-7-6-17-11(14-7)8-3-4-9(10(13)5-8)12(15)16-2/h3-6H,1-2H3.
What are the key properties of methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate?
methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate 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-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate is sourced from PubChem (CID 172532469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).