[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate

C16H16F3NO2S — CID 2726701

IUPAC[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C16H16F3NO2S/c1-15(2,3)14(21)22-8-13-20-12(9-23-13)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,8H2,1-3H3
InChIKeyJMCXDONPICUASK-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.92
Rot. Bonds3

About [4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate

[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 2726701) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID2726701
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C16H16F3NO2S/c1-15(2,3)14(21)22-8-13-20-12(9-23-13)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,8H2,1-3H3
InChIKeyJMCXDONPICUASK-UHFFFAOYSA-N
XLogP4.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate 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 [4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate (CID 2726701) is [4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1nc(-c2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of [4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is JMCXDONPICUASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-15(2,3)14(21)22-8-13-20-12(9-23-13)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,8H2,1-3H3.
What are the key properties of [4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 343.37 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 2726701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).