N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H15F3N2O2S — CID 78875330

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(C)c1csc(NC(=O)COCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2S/c1-10(2,3)7-5-19-9(15-7)16-8(17)4-18-6-11(12,13)14/h5H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyXUVUSELAKAADQW-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.96
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 78875330) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID78875330
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(C)c1csc(NC(=O)COCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2S/c1-10(2,3)7-5-19-9(15-7)16-8(17)4-18-6-11(12,13)14/h5H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyXUVUSELAKAADQW-UHFFFAOYSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 78875330) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)(C)c1csc(NC(=O)COCC(F)(F)F)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is XUVUSELAKAADQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-10(2,3)7-5-19-9(15-7)16-8(17)4-18-6-11(12,13)14/h5H,4,6H2,1-3H3,(H,15,16,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 296.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 78875330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).