tert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate

C11H15F3N2O2S — CID 99817496

IUPACtert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2O2S/c1-10(2,3)18-9(17)15-5-4-8-16-7(6-19-8)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,17)
InChIKeyOFUJESZBRGXJJV-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.23
Rot. Bonds3

About tert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate

tert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate (PubChem CID 99817496) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate
PubChem CID99817496
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Nametert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2O2S/c1-10(2,3)18-9(17)15-5-4-8-16-7(6-19-8)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,17)
InChIKeyOFUJESZBRGXJJV-UHFFFAOYSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate (CID 99817496) is tert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of tert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate?
The InChIKey is OFUJESZBRGXJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-10(2,3)18-9(17)15-5-4-8-16-7(6-19-8)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate?
tert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate has a molecular weight of 296.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 99817496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).