2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone

C6H5F3N2OS — CID 82660244

IUPAC2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESNCC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)5-11-3(2-13-5)4(12)1-10/h2H,1,10H2
InChIKeyLGNCIOVIMLHHNQ-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.30
Rot. Bonds2

About 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone

2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 82660244) has the molecular formula C6H5F3N2OS and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID82660244
Molecular FormulaC6H5F3N2OS
Molecular Weight210.18 g/mol
Exact Mass210.01
IUPAC Name2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESNCC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)5-11-3(2-13-5)4(12)1-10/h2H,1,10H2
InChIKeyLGNCIOVIMLHHNQ-UHFFFAOYSA-N
XLogP1.30
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone (CID 82660244) is 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone is NCC(=O)c1csc(C(F)(F)F)n1.
What is the InChIKey of 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is LGNCIOVIMLHHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2OS/c7-6(8,9)5-11-3(2-13-5)4(12)1-10/h2H,1,10H2.
What are the key properties of 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 210.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 82660244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).