methyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate

C18H14FNO2S — CID 141201831

IUPACmethyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate
SMILESCOC(=O)c1cc(-c2cncs2)cc(-c2ccc(C)cc2)c1F
InChIInChI=1S/C18H14FNO2S/c1-11-3-5-12(6-4-11)14-7-13(16-9-20-10-23-16)8-15(17(14)19)18(21)22-2/h3-10H,1-2H3
InChIKeyHZLRXYKNLHWUFR-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.71
Rot. Bonds3

About methyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate

methyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate (PubChem CID 141201831) has the molecular formula C18H14FNO2S and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate
PubChem CID141201831
Molecular FormulaC18H14FNO2S
Molecular Weight327.38 g/mol
Exact Mass327.07
IUPAC Namemethyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate
SMILESCOC(=O)c1cc(-c2cncs2)cc(-c2ccc(C)cc2)c1F
InChIInChI=1S/C18H14FNO2S/c1-11-3-5-12(6-4-11)14-7-13(16-9-20-10-23-16)8-15(17(14)19)18(21)22-2/h3-10H,1-2H3
InChIKeyHZLRXYKNLHWUFR-UHFFFAOYSA-N
XLogP4.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate
CID 143667160
methyl 5-methyl-2-(4-methylphenyl)benzoate
CID 22125905
methyl 2,4-dipyridin-4-ylbenzoate
CID 46317525
methyl 5-bromo-2-fluoro-3-phenylbenzoate
CID 164891347
methyl 2-fluoro-5-(2-methyl-1,3-thiazol-5-yl)benzoate
CID 171772821
methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate
CID 114835353
methyl 2,3-difluoro-5-methoxy-4-methylbenzoate
CID 163198256
ethyl 2-fluoro-3,5-dipyridin-3-ylbenzoate
CID 46317975
5-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 91229568
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate
CID 172532469
methyl 2-fluoro-5-(2-methylpropylamino)-3-(5-methyl-2-pyridinyl)benzoate
CID 67461599

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate?
The IUPAC name of methyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate (CID 141201831) is methyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate.
What is the SMILES notation for methyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate?
The canonical SMILES for methyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate is COC(=O)c1cc(-c2cncs2)cc(-c2ccc(C)cc2)c1F.
What is the InChIKey of methyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate?
The InChIKey is HZLRXYKNLHWUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2S/c1-11-3-5-12(6-4-11)14-7-13(16-9-20-10-23-16)8-15(17(14)19)18(21)22-2/h3-10H,1-2H3.
What are the key properties of methyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate?
methyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate has a molecular weight of 327.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate is sourced from PubChem (CID 141201831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).