N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C7H6BrF3N2O2S — CID 103208552

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ncc(Br)s1
InChIInChI=1S/C7H6BrF3N2O2S/c8-4-1-12-6(16-4)13-5(14)2-15-3-7(9,10)11/h1H,2-3H2,(H,12,13,14)
InChIKeyXEJUFMHRBVZPRN-UHFFFAOYSA-N
MW319.10 g/mol
LogP2.42
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103208552) has the molecular formula C7H6BrF3N2O2S and a molecular weight of 319.10 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103208552
Molecular FormulaC7H6BrF3N2O2S
Molecular Weight319.10 g/mol
Exact Mass317.93
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ncc(Br)s1
InChIInChI=1S/C7H6BrF3N2O2S/c8-4-1-12-6(16-4)13-5(14)2-15-3-7(9,10)11/h1H,2-3H2,(H,12,13,14)
InChIKeyXEJUFMHRBVZPRN-UHFFFAOYSA-N
XLogP2.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.10
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103208552) is N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is XEJUFMHRBVZPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O2S/c8-4-1-12-6(16-4)13-5(14)2-15-3-7(9,10)11/h1H,2-3H2,(H,12,13,14).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 319.10 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103208552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).