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

C6H4BrF3N2OS — CID 163353990

IUPACN-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCc1sc(NC(=O)C(F)(F)F)nc1Br
InChIInChI=1S/C6H4BrF3N2OS/c1-2-3(7)11-5(14-2)12-4(13)6(8,9)10/h1H3,(H,11,12,13)
InChIKeyIBDKKFCAPAWUQX-UHFFFAOYSA-N
MW289.08 g/mol
LogP2.71
Rot. Bonds1

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

N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 163353990) has the molecular formula C6H4BrF3N2OS and a molecular weight of 289.08 g/mol. Its IUPAC name is N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID163353990
Molecular FormulaC6H4BrF3N2OS
Molecular Weight289.08 g/mol
Exact Mass287.92
IUPAC NameN-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCc1sc(NC(=O)C(F)(F)F)nc1Br
InChIInChI=1S/C6H4BrF3N2OS/c1-2-3(7)11-5(14-2)12-4(13)6(8,9)10/h1H3,(H,11,12,13)
InChIKeyIBDKKFCAPAWUQX-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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Related Compounds

N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 12954382
N-(4-fluoro-5-methyl-1,3-thiazol-2-yl)acetamide
CID 154685661
ethane;N-(4-fluoro-5-methyl-1,3-thiazol-2-yl)acetamide;molecular hydrogen
CID 154685835
N-(4-Bromo-5-methylthiazol-2-yl)acetamide
CID 92133829
N-(4-Bromo-5-methylthiazol-2-yl)pivalamide
CID 92133830
N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide
CID 138013918
N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-1,4-dithiane-2-carboxamide
CID 146142404
N-(4-Bromo-5-methyl-1,3-thiazol-2-yl)formamide
CID 154881592

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (CID 163353990) is N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is Cc1sc(NC(=O)C(F)(F)F)nc1Br.
What is the InChIKey of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is IBDKKFCAPAWUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2OS/c1-2-3(7)11-5(14-2)12-4(13)6(8,9)10/h1H3,(H,11,12,13).
What are the key properties of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(4-bromo-5-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-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 163353990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).