N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

C6H4BrF3N2OS — CID 12954382

IUPACN-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCc1nc(NC(=O)C(F)(F)F)sc1Br
InChIInChI=1S/C6H4BrF3N2OS/c1-2-3(7)14-5(11-2)12-4(13)6(8,9)10/h1H3,(H,11,12,13)
InChIKeyJVAHWLGPLDJYNC-UHFFFAOYSA-N
MW289.08 g/mol
LogP2.71
Rot. Bonds1

About N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 12954382) has the molecular formula C6H4BrF3N2OS and a molecular weight of 289.08 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID12954382
Molecular FormulaC6H4BrF3N2OS
Molecular Weight289.08 g/mol
Exact Mass287.92
IUPAC NameN-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCc1nc(NC(=O)C(F)(F)F)sc1Br
InChIInChI=1S/C6H4BrF3N2OS/c1-2-3(7)14-5(11-2)12-4(13)6(8,9)10/h1H3,(H,11,12,13)
InChIKeyJVAHWLGPLDJYNC-UHFFFAOYSA-N
XLogP2.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (CID 12954382) is N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is Cc1nc(NC(=O)C(F)(F)F)sc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is JVAHWLGPLDJYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2OS/c1-2-3(7)14-5(11-2)12-4(13)6(8,9)10/h1H3,(H,11,12,13).
What are the key properties of N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 289.08 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 12954382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).