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

C10H13F3N2O3S — CID 154729526

IUPACtert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O3S/c1-9(2,3)18-7(16)15-6-4-14-8(19-6)17-5-10(11,12)13/h4H,5H2,1-3H3,(H,15,16)
InChIKeyRUGSSCUIPXAGEY-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.43
Rot. Bonds3

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

tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate (PubChem CID 154729526) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate
PubChem CID154729526
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC Nametert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O3S/c1-9(2,3)18-7(16)15-6-4-14-8(19-6)17-5-10(11,12)13/h4H,5H2,1-3H3,(H,15,16)
InChIKeyRUGSSCUIPXAGEY-UHFFFAOYSA-N
XLogP3.43
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate
CID 46911876
tert-butyl N-(1,3-thiazol-5-yl)carbamate
CID 53432624
tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
CID 58874065
tert-butyl N-(2-chloro-1,3-thiazol-5-yl)carbamate
CID 71748574
tert-butyl N-(2-(propan-2-yl)-1,3-thiazol-5-yl)carbamate
CID 91647755
tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate
CID 155822810
tert-Butyl (2-(trifluoromethyl)thiazol-5-yl)carbamate
CID 92045600
2-[(1,1,1-Trifluoropropan-2-yl)oxy]-1,3-thiazol-5-amine
CID 102769545
2-(4,4,4-Trifluorobutoxy)-1,3-thiazol-5-amine
CID 102769591
2-(3,3,3-Trifluoropropoxy)-1,3-thiazol-5-amine
CID 102769599
2-(2,2-Difluoropropoxy)-1,3-thiazol-5-amine
CID 165962999
(2-Vinyl-thiazol-5-yl)-carbamic acid tert-butyl ester
CID 59503612

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate (CID 154729526) is tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate is CC(C)(C)OC(=O)Nc1cnc(OCC(F)(F)F)s1.
What is the InChIKey of tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate?
The InChIKey is RUGSSCUIPXAGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-9(2,3)18-7(16)15-6-4-14-8(19-6)17-5-10(11,12)13/h4H,5H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate?
tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate has a molecular weight of 298.29 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 154729526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).