N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

C7H5F3N2O2S — CID 64544831

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(=O)c1csc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O2S/c1-3(13)4-2-15-6(11-4)12-5(14)7(8,9)10/h2H,1H3,(H,11,12,14)
InChIKeyXFZYSUQEUPSAAN-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.85
Rot. Bonds2

About N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 64544831) has the molecular formula C7H5F3N2O2S and a molecular weight of 238.19 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID64544831
Molecular FormulaC7H5F3N2O2S
Molecular Weight238.19 g/mol
Exact Mass238.00
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(=O)c1csc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O2S/c1-3(13)4-2-15-6(11-4)12-5(14)7(8,9)10/h2H,1H3,(H,11,12,14)
InChIKeyXFZYSUQEUPSAAN-UHFFFAOYSA-N
XLogP1.85
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (CID 64544831) is N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is CC(=O)c1csc(NC(=O)C(F)(F)F)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is XFZYSUQEUPSAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2S/c1-3(13)4-2-15-6(11-4)12-5(14)7(8,9)10/h2H,1H3,(H,11,12,14).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 238.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 64544831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).