ethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate

C7H6F3NO2S — CID 59705120

IUPACethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c1-2-13-6(12)4-5(7(8,9)10)14-3-11-4/h3H,2H2,1H3
InChIKeyITLCVRWHHVATKO-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.34
Rot. Bonds2

About ethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate

ethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate (PubChem CID 59705120) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is ethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
PubChem CID59705120
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Nameethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c1-2-13-6(12)4-5(7(8,9)10)14-3-11-4/h3H,2H2,1H3
InChIKeyITLCVRWHHVATKO-UHFFFAOYSA-N
XLogP2.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-(trifluoromethyl)-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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate (CID 59705120) is ethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1C(F)(F)F.
What is the InChIKey of ethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is ITLCVRWHHVATKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c1-2-13-6(12)4-5(7(8,9)10)14-3-11-4/h3H,2H2,1H3.
What are the key properties of ethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
ethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 225.19 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 59705120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).