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

C15H13F3N2O3S — CID 7954813

IUPAC[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H13F3N2O3S/c1-8-13(24-9(2)19-8)14(22)23-7-12(21)20-11-5-3-4-10(6-11)15(16,17)18/h3-6H,7H2,1-2H3,(H,20,21)
InChIKeyFNRACPRVULAYSL-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.57
Rot. Bonds4

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

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7954813) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7954813
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H13F3N2O3S/c1-8-13(24-9(2)19-8)14(22)23-7-12(21)20-11-5-3-4-10(6-11)15(16,17)18/h3-6H,7H2,1-2H3,(H,20,21)
InChIKeyFNRACPRVULAYSL-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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Related Compounds

[1-(4-Fluoroanilino)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16302114
[2-[2-(Cyanomethylsulfanyl)anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469397
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954461
(2-Anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469416
[2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954816
[2-(2,3-Dimethylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954823
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954868
[2-(Benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954888
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-methylbut-2-enoate
CID 24671721
[2-(3,4-Dimethylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 4884027
Ethyl 4-methyl-2-(3-(2-(trifluoromethyl)phenyl)ureido)thiazole-5-carboxylate
CID 45503671
[1-(4-Carbamoylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16259800

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7954813) is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is FNRACPRVULAYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-8-13(24-9(2)19-8)14(22)23-7-12(21)20-11-5-3-4-10(6-11)15(16,17)18/h3-6H,7H2,1-2H3,(H,20,21).
What are the key properties of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-oxo-2-[3-(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-[3-(trifluoromethyl)anilino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7954813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).