N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

C7H9F3N2OS — CID 57100685

IUPACN-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCCC1CN=C(NC(=O)C(F)(F)F)S1
InChIInChI=1S/C7H9F3N2OS/c1-2-4-3-11-6(14-4)12-5(13)7(8,9)10/h4H,2-3H2,1H3,(H,11,12,13)
InChIKeyODHBCKZRZDTWLX-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.55
Rot. Bonds1

About N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 57100685) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID57100685
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC NameN-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCCC1CN=C(NC(=O)C(F)(F)F)S1
InChIInChI=1S/C7H9F3N2OS/c1-2-4-3-11-6(14-4)12-5(13)7(8,9)10/h4H,2-3H2,1H3,(H,11,12,13)
InChIKeyODHBCKZRZDTWLX-UHFFFAOYSA-N
XLogP1.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (CID 57100685) is N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is CCC1CN=C(NC(=O)C(F)(F)F)S1.
What is the InChIKey of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is ODHBCKZRZDTWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c1-2-4-3-11-6(14-4)12-5(13)7(8,9)10/h4H,2-3H2,1H3,(H,11,12,13).
What are the key properties of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 226.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57100685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).