[2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

C20H16FNO4S — CID 8679237

IUPAC[2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nc(COc2ccccc2C(=O)OCC(=O)c2cccc(F)c2)cs1
InChIInChI=1S/C20H16FNO4S/c1-13-22-16(12-27-13)10-25-19-8-3-2-7-17(19)20(24)26-11-18(23)14-5-4-6-15(21)9-14/h2-9,12H,10-11H2,1H3
InChIKeyOLIALERSIJKLMH-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.21
Rot. Bonds7

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

[2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (PubChem CID 8679237) has the molecular formula C20H16FNO4S and a molecular weight of 385.42 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
PubChem CID8679237
Molecular FormulaC20H16FNO4S
Molecular Weight385.42 g/mol
Exact Mass385.08
IUPAC Name[2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nc(COc2ccccc2C(=O)OCC(=O)c2cccc(F)c2)cs1
InChIInChI=1S/C20H16FNO4S/c1-13-22-16(12-27-13)10-25-19-8-3-2-7-17(19)20(24)26-11-18(23)14-5-4-6-15(21)9-14/h2-9,12H,10-11H2,1H3
InChIKeyOLIALERSIJKLMH-UHFFFAOYSA-N
XLogP4.21
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-Methyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate
CID 72026232
3-(4-Methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one
CID 75398733
4H-1-Benzopyran-4-one, 3-(acetyloxy)-2-[2-(4-ethoxyphenyl)-4-thiazolyl]-
CID 378563
2-[(2-Methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 4962844
2-((1,3-Thiazol-4-yl)methoxy)benzoic acid
CID 7130681
6-(((4-methylthiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2,4-dimethoxybenzoate
CID 18574002
2-[[2-[(4-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzamide
CID 16624211
2-(4',5'-Difluoro-2'-methoxy-biphenyl-4-yloxymethyl)-thiazole-4-carboxylic acid ethyl ester
CID 58294002
Ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
CID 58541165
1-[2-[3-[5-Fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one
CID 58541226
2-[2-[3-[5-Fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
CID 58541404
1-[2-[3-[5-Fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one
CID 58541525

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (CID 8679237) is [2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.
What is the SMILES notation for [2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The canonical SMILES for [2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is Cc1nc(COc2ccccc2C(=O)OCC(=O)c2cccc(F)c2)cs1.
What is the InChIKey of [2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The InChIKey is OLIALERSIJKLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4S/c1-13-22-16(12-27-13)10-25-19-8-3-2-7-17(19)20(24)26-11-18(23)14-5-4-6-15(21)9-14/h2-9,12H,10-11H2,1H3.
What are the key properties of [2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
[2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate has a molecular weight of 385.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 8679237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).