methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate

C17H11F2NO2S — CID 142384350

IUPACmethyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate
SMILESCOC(=O)c1cccc(F)c1-c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H11F2NO2S/c1-22-17(21)12-3-2-4-13(19)15(12)16-20-9-14(23-16)10-5-7-11(18)8-6-10/h2-9H,1H3
InChIKeyLQKMMSZNKIWPSE-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.54
Rot. Bonds3

About methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate

methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate (PubChem CID 142384350) has the molecular formula C17H11F2NO2S and a molecular weight of 331.34 g/mol. Its IUPAC name is methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate
PubChem CID142384350
Molecular FormulaC17H11F2NO2S
Molecular Weight331.34 g/mol
Exact Mass331.05
IUPAC Namemethyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate
SMILESCOC(=O)c1cccc(F)c1-c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H11F2NO2S/c1-22-17(21)12-3-2-4-13(19)15(12)16-20-9-14(23-16)10-5-7-11(18)8-6-10/h2-9H,1H3
InChIKeyLQKMMSZNKIWPSE-UHFFFAOYSA-N
XLogP4.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-fluoro-5-(2-methyl-1,3-thiazol-5-yl)benzoate
CID 171772821
methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate
CID 134623804
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate
CID 114835353
4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 142384374
methyl 3-(1,3-dithiolan-2-yl)-2-(4-fluorophenyl)benzoate
CID 87395693
methyl 2-[2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]-6-fluoroquinoline-4-carboxylate
CID 170148921
methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 82017609
2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54094069
ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate
CID 142933159
methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate
CID 139911656
methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate
CID 9298313

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate?
The IUPAC name of methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate (CID 142384350) is methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate.
What is the SMILES notation for methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate?
The canonical SMILES for methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate is COC(=O)c1cccc(F)c1-c1ncc(-c2ccc(F)cc2)s1.
What is the InChIKey of methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate?
The InChIKey is LQKMMSZNKIWPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO2S/c1-22-17(21)12-3-2-4-13(19)15(12)16-20-9-14(23-16)10-5-7-11(18)8-6-10/h2-9H,1H3.
What are the key properties of methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate?
methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate has a molecular weight of 331.34 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate is sourced from PubChem (CID 142384350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).