2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate

C7H7F3N2O2S — CID 104599360

IUPAC2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate
SMILESO=C(NCc1cncs1)OCC(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)3-14-6(13)12-2-5-1-11-4-15-5/h1,4H,2-3H2,(H,12,13)
InChIKeyVSXMUWNIRBYALZ-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.93
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate

2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate (PubChem CID 104599360) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate
PubChem CID104599360
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate
SMILESO=C(NCc1cncs1)OCC(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)3-14-6(13)12-2-5-1-11-4-15-5/h1,4H,2-3H2,(H,12,13)
InChIKeyVSXMUWNIRBYALZ-UHFFFAOYSA-N
XLogP1.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.93
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-(1,3-thiazol-5-ylmethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate (CID 104599360) is 2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate is O=C(NCc1cncs1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate?
The InChIKey is VSXMUWNIRBYALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)3-14-6(13)12-2-5-1-11-4-15-5/h1,4H,2-3H2,(H,12,13).
What are the key properties of 2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate?
2,2,2-trifluoroethyl N-(1,3-thiazol-5-ylmethyl)carbamate has a molecular weight of 240.21 g/mol, XLogP of 1.93, 3 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-(1,3-thiazol-5-ylmethyl)carbamate is sourced from PubChem (CID 104599360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).