[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C15H14FNO4S — CID 7681446

IUPAC[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2sc(C)nc2C)cc1F
InChIInChI=1S/C15H14FNO4S/c1-8-14(22-9(2)17-8)15(19)21-7-12(18)10-4-5-13(20-3)11(16)6-10/h4-6H,7H2,1-3H3
InChIKeyFENIARVXWGWVSJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.95
Rot. Bonds5

About [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7681446) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7681446
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2sc(C)nc2C)cc1F
InChIInChI=1S/C15H14FNO4S/c1-8-14(22-9(2)17-8)15(19)21-7-12(18)10-4-5-13(20-3)11(16)6-10/h4-6H,7H2,1-3H3
InChIKeyFENIARVXWGWVSJ-UHFFFAOYSA-N
XLogP2.95
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7681446) is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is COc1ccc(C(=O)COC(=O)c2sc(C)nc2C)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is FENIARVXWGWVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-8-14(22-9(2)17-8)15(19)21-7-12(18)10-4-5-13(20-3)11(16)6-10/h4-6H,7H2,1-3H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7681446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).