tert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate

C10H13F3N2O2S — CID 133061414

IUPACtert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S/c1-9(2,3)17-8(16)15-5-6-4-14-7(18-6)10(11,12)13/h4H,5H2,1-3H3,(H,15,16)
InChIKeyYTSGJRGOLNNYCG-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.19
Rot. Bonds2

About tert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate

tert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate (PubChem CID 133061414) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is tert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate
PubChem CID133061414
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Nametert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S/c1-9(2,3)17-8(16)15-5-6-4-14-7(18-6)10(11,12)13/h4H,5H2,1-3H3,(H,15,16)
InChIKeyYTSGJRGOLNNYCG-UHFFFAOYSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.19
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-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate (CID 133061414) is tert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cnc(C(F)(F)F)s1.
What is the InChIKey of tert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate?
The InChIKey is YTSGJRGOLNNYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-9(2,3)17-8(16)15-5-6-4-14-7(18-6)10(11,12)13/h4H,5H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate?
tert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate has a molecular weight of 282.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate is sourced from PubChem (CID 133061414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).