2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate

C9H11F3N2O2S — CID 104599355

IUPAC2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate
SMILESCC(CNC(=O)OCC(F)(F)F)c1nccs1
InChIInChI=1S/C9H11F3N2O2S/c1-6(7-13-2-3-17-7)4-14-8(15)16-5-9(10,11)12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyKINFUXRKDILWPH-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.54
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate

2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate (PubChem CID 104599355) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate
PubChem CID104599355
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate
SMILESCC(CNC(=O)OCC(F)(F)F)c1nccs1
InChIInChI=1S/C9H11F3N2O2S/c1-6(7-13-2-3-17-7)4-14-8(15)16-5-9(10,11)12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyKINFUXRKDILWPH-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate (CID 104599355) is 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate is CC(CNC(=O)OCC(F)(F)F)c1nccs1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate?
The InChIKey is KINFUXRKDILWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-6(7-13-2-3-17-7)4-14-8(15)16-5-9(10,11)12/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate?
2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)propyl]carbamate has a molecular weight of 268.26 g/mol, XLogP of 2.54, 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-(1,3-thiazol-2-yl)propyl]carbamate is sourced from PubChem (CID 104599355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).