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

C5H5F3N2OS — CID 4063740

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1=NCCS1)C(F)(F)F
InChIInChI=1S/C5H5F3N2OS/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-2H2,(H,9,10,11)
InChIKeyQRAYSUKGHRXDFW-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.77
Rot. Bonds

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 4063740) has the molecular formula C5H5F3N2OS and a molecular weight of 198.17 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID4063740
Molecular FormulaC5H5F3N2OS
Molecular Weight198.17 g/mol
Exact Mass198.01
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1=NCCS1)C(F)(F)F
InChIInChI=1S/C5H5F3N2OS/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-2H2,(H,9,10,11)
InChIKeyQRAYSUKGHRXDFW-UHFFFAOYSA-N
XLogP0.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (CID 4063740) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is O=C(NC1=NCCS1)C(F)(F)F.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is QRAYSUKGHRXDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2OS/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-2H2,(H,9,10,11).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 198.17 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 4063740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).