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

C7H7BrF3N3OS — CID 79260824

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ncc(Br)s1
InChIInChI=1S/C7H7BrF3N3OS/c8-4-1-13-6(16-4)14-5(15)2-12-3-7(9,10)11/h1,12H,2-3H2,(H,13,14,15)
InChIKeyMZRZHBPVKLSCIU-UHFFFAOYSA-N
MW318.12 g/mol
LogP2.00
Rot. Bonds4

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

N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79260824) has the molecular formula C7H7BrF3N3OS and a molecular weight of 318.12 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79260824
Molecular FormulaC7H7BrF3N3OS
Molecular Weight318.12 g/mol
Exact Mass316.94
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ncc(Br)s1
InChIInChI=1S/C7H7BrF3N3OS/c8-4-1-13-6(16-4)14-5(15)2-12-3-7(9,10)11/h1,12H,2-3H2,(H,13,14,15)
InChIKeyMZRZHBPVKLSCIU-UHFFFAOYSA-N
XLogP2.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.12
LogP ≤ 52.00
H-Bond Donors ≤ 52
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-trifluoroethylamino)acetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79260824) is N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is MZRZHBPVKLSCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3OS/c8-4-1-13-6(16-4)14-5(15)2-12-3-7(9,10)11/h1,12H,2-3H2,(H,13,14,15).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 318.12 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 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-trifluoroethylamino)acetamide is sourced from PubChem (CID 79260824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).