ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate

C7H6F3NO2S — CID 23560697

IUPACethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3NO2S/c1-2-13-6(12)5-11-4(3-14-5)7(8,9)10/h3H,2H2,1H3
InChIKeyPSTFYCCCZHOTHW-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.34
Rot. Bonds2

About ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate

ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate (PubChem CID 23560697) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate
PubChem CID23560697
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Nameethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3NO2S/c1-2-13-6(12)5-11-4(3-14-5)7(8,9)10/h3H,2H2,1H3
InChIKeyPSTFYCCCZHOTHW-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate (CID 23560697) is ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(F)(F)F)cs1.
What is the InChIKey of ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate?
The InChIKey is PSTFYCCCZHOTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c1-2-13-6(12)5-11-4(3-14-5)7(8,9)10/h3H,2H2,1H3.
What are the key properties of ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(trifluoromethyl)-1,3-thiazole-2-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 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 23560697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).