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

C16H14F3N3O3S — CID 4829131

IUPAC[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
SMILESC=CCNc1nc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C16H14F3N3O3S/c1-2-7-20-15-22-12(9-26-15)14(24)25-8-13(23)21-11-6-4-3-5-10(11)16(17,18)19/h2-6,9H,1,7-8H2,(H,20,22)(H,21,23)
InChIKeyZSIWBSRKLBDTFC-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.56
Rot. Bonds7

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

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate (PubChem CID 4829131) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
PubChem CID4829131
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
SMILESC=CCNc1nc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C16H14F3N3O3S/c1-2-7-20-15-22-12(9-26-15)14(24)25-8-13(23)21-11-6-4-3-5-10(11)16(17,18)19/h2-6,9H,1,7-8H2,(H,20,22)(H,21,23)
InChIKeyZSIWBSRKLBDTFC-UHFFFAOYSA-N
XLogP3.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-(benzylamino)-3,5-thiazolecarboxylate
CID 15053550
[2-[2-Chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 16298471
Ethyl 2-(phenylamino)-4-thiazolecarboxylate
CID 15053537
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 2642373
[2-(3-Methylsulfanylanilino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 2685678
Ethyl 2-((3-fluorophenyl)amino)thiazole-4-carboxylate
CID 2769678
[2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 9112789
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 16519308
Ethyl 2-(4-methylanilino)-1,3-thiazole-4-carboxylate
CID 1284668
Ethyl 4-((3,5-bis(trifluoromethyl)phenyl)amino)-3,5-thiazolecarboxylate
CID 75176660
Ethyl 2-(4-cyanoanilino)-1,3-thiazole-4-carboxylate
CID 78988112
Ethyl 2-(2,5-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 80567875

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate (CID 4829131) is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate is C=CCNc1nc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cs1.
What is the InChIKey of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is ZSIWBSRKLBDTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c1-2-7-20-15-22-12(9-26-15)14(24)25-8-13(23)21-11-6-4-3-5-10(11)16(17,18)19/h2-6,9H,1,7-8H2,(H,20,22)(H,21,23).
What are the key properties of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 385.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 4829131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).