1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C6H5F3N2OS — CID 18936300

IUPAC1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N)nc1C(F)(F)F
InChIInChI=1S/C6H5F3N2OS/c1-2(12)3-4(6(7,8)9)11-5(10)13-3/h1H3,(H2,10,11)
InChIKeyWATJHCODYKTHLP-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.95
Rot. Bonds1

About 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 18936300) has the molecular formula C6H5F3N2OS and a molecular weight of 210.18 g/mol. Its IUPAC name is 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID18936300
Molecular FormulaC6H5F3N2OS
Molecular Weight210.18 g/mol
Exact Mass210.01
IUPAC Name1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N)nc1C(F)(F)F
InChIInChI=1S/C6H5F3N2OS/c1-2(12)3-4(6(7,8)9)11-5(10)13-3/h1H3,(H2,10,11)
InChIKeyWATJHCODYKTHLP-UHFFFAOYSA-N
XLogP1.95
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 18936300) is 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N)nc1C(F)(F)F.
What is the InChIKey of 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is WATJHCODYKTHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2OS/c1-2(12)3-4(6(7,8)9)11-5(10)13-3/h1H3,(H2,10,11).
What are the key properties of 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 210.18 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 18936300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).