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

C8H9F3N2O2S — CID 62198446

IUPAC2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate
SMILESO=C(NCCc1nccs1)OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)5-15-7(14)13-2-1-6-12-3-4-16-6/h3-4H,1-2,5H2,(H,13,14)
InChIKeyRFUUUEJSJVWPCJ-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.97
Rot. Bonds4

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

2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate (PubChem CID 62198446) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate
PubChem CID62198446
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate
SMILESO=C(NCCc1nccs1)OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)5-15-7(14)13-2-1-6-12-3-4-16-6/h3-4H,1-2,5H2,(H,13,14)
InChIKeyRFUUUEJSJVWPCJ-UHFFFAOYSA-N
XLogP1.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.97
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)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate (CID 62198446) is 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate is O=C(NCCc1nccs1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate?
The InChIKey is RFUUUEJSJVWPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c9-8(10,11)5-15-7(14)13-2-1-6-12-3-4-16-6/h3-4H,1-2,5H2,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate has a molecular weight of 254.23 g/mol, XLogP of 1.97, 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)ethyl]carbamate is sourced from PubChem (CID 62198446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).