[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C15H13F3N2O3S — CID 7469432

IUPAC[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C15H13F3N2O3S/c1-8-13(24-9(2)19-8)14(22)23-7-12(21)20-11-6-4-3-5-10(11)15(16,17)18/h3-6H,7H2,1-2H3,(H,20,21)
InChIKeyOEOBKTUCCOVCEQ-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.57
Rot. Bonds4

About [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7469432) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7469432
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C15H13F3N2O3S/c1-8-13(24-9(2)19-8)14(22)23-7-12(21)20-11-6-4-3-5-10(11)15(16,17)18/h3-6H,7H2,1-2H3,(H,20,21)
InChIKeyOEOBKTUCCOVCEQ-UHFFFAOYSA-N
XLogP3.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7469432) is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)s1.
What is the InChIKey of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is OEOBKTUCCOVCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-8-13(24-9(2)19-8)14(22)23-7-12(21)20-11-6-4-3-5-10(11)15(16,17)18/h3-6H,7H2,1-2H3,(H,20,21).
What are the key properties of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 358.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7469432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).