2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate

C9H11F3N2O2S — CID 65173856

IUPAC2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESCc1csc(CCNC(=O)OCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2S/c1-6-4-17-7(14-6)2-3-13-8(15)16-5-9(10,11)12/h4H,2-3,5H2,1H3,(H,13,15)
InChIKeyUTMOWKOEXLBISY-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.28
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate

2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate (PubChem CID 65173856) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate
PubChem CID65173856
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESCc1csc(CCNC(=O)OCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2S/c1-6-4-17-7(14-6)2-3-13-8(15)16-5-9(10,11)12/h4H,2-3,5H2,1H3,(H,13,15)
InChIKeyUTMOWKOEXLBISY-UHFFFAOYSA-N
XLogP2.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate 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 2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate (CID 65173856) is 2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate is Cc1csc(CCNC(=O)OCC(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate?
The InChIKey is UTMOWKOEXLBISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-6-4-17-7(14-6)2-3-13-8(15)16-5-9(10,11)12/h4H,2-3,5H2,1H3,(H,13,15).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate has a molecular weight of 268.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 65173856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).