ethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C12H14F3NO3S — CID 126482815

IUPACethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C(F)(F)F)nc1C1CC1COC
InChIInChI=1S/C12H14F3NO3S/c1-3-19-10(17)9-8(7-4-6(7)5-18-2)16-11(20-9)12(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyDJBGXARDWLFXIC-UHFFFAOYSA-N
MW309.31 g/mol
LogP3.09
Rot. Bonds5

About ethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 126482815) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is ethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID126482815
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC Nameethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C(F)(F)F)nc1C1CC1COC
InChIInChI=1S/C12H14F3NO3S/c1-3-19-10(17)9-8(7-4-6(7)5-18-2)16-11(20-9)12(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyDJBGXARDWLFXIC-UHFFFAOYSA-N
XLogP3.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-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 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 126482815) is ethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C(F)(F)F)nc1C1CC1COC.
What is the InChIKey of ethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is DJBGXARDWLFXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-3-19-10(17)9-8(7-4-6(7)5-18-2)16-11(20-9)12(13,14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 309.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(methoxymethyl)cyclopropyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 126482815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).