1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one

C10H7F3N2OS — CID 123839300

IUPAC1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one
SMILESCC=CC(=O)c1cn2cc(C(F)(F)F)sc2n1
InChIInChI=1S/C10H7F3N2OS/c1-2-3-7(16)6-4-15-5-8(10(11,12)13)17-9(15)14-6/h2-5H,1H3
InChIKeyPRMFNAROHWVWGE-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.17
Rot. Bonds2

About 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one

1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one (PubChem CID 123839300) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one
PubChem CID123839300
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one
SMILESCC=CC(=O)c1cn2cc(C(F)(F)F)sc2n1
InChIInChI=1S/C10H7F3N2OS/c1-2-3-7(16)6-4-15-5-8(10(11,12)13)17-9(15)14-6/h2-5H,1H3
InChIKeyPRMFNAROHWVWGE-UHFFFAOYSA-N
XLogP3.17
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one 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 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one?
The IUPAC name of 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one (CID 123839300) is 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one.
What is the SMILES notation for 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one?
The canonical SMILES for 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one is CC=CC(=O)c1cn2cc(C(F)(F)F)sc2n1.
What is the InChIKey of 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one?
The InChIKey is PRMFNAROHWVWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c1-2-3-7(16)6-4-15-5-8(10(11,12)13)17-9(15)14-6/h2-5H,1H3.
What are the key properties of 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one?
1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one has a molecular weight of 260.24 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one is sourced from PubChem (CID 123839300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).