2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C9H8F6N2O2S — CID 78872137

IUPAC2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H8F6N2O2S/c1-4(19-3-8(10,11)12)6(18)17-7-16-5(2-20-7)9(13,14)15/h2,4H,3H2,1H3,(H,16,17,18)
InChIKeyLSSJXWLZNQMITN-UHFFFAOYSA-N
MW322.23 g/mol
LogP3.07
Rot. Bonds4

About 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 78872137) has the molecular formula C9H8F6N2O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID78872137
Molecular FormulaC9H8F6N2O2S
Molecular Weight322.23 g/mol
Exact Mass322.02
IUPAC Name2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H8F6N2O2S/c1-4(19-3-8(10,11)12)6(18)17-7-16-5(2-20-7)9(13,14)15/h2,4H,3H2,1H3,(H,16,17,18)
InChIKeyLSSJXWLZNQMITN-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 78872137) is 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CC(OCC(F)(F)F)C(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is LSSJXWLZNQMITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O2S/c1-4(19-3-8(10,11)12)6(18)17-7-16-5(2-20-7)9(13,14)15/h2,4H,3H2,1H3,(H,16,17,18).
What are the key properties of 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 322.23 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 78872137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).