1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one

C8H5ClF2N2OS — CID 112574688

IUPAC1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESO=C(Cc1cn2ccsc2n1)C(F)(F)Cl
InChIInChI=1S/C8H5ClF2N2OS/c9-8(10,11)6(14)3-5-4-13-1-2-15-7(13)12-5/h1-2,4H,3H2
InChIKeyWZAJAJZFFYJJRY-UHFFFAOYSA-N
MW250.66 g/mol
LogP2.34
Rot. Bonds3

About 1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one

1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (PubChem CID 112574688) has the molecular formula C8H5ClF2N2OS and a molecular weight of 250.66 g/mol. Its IUPAC name is 1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.

Molecular Properties

Compound Name1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
PubChem CID112574688
Molecular FormulaC8H5ClF2N2OS
Molecular Weight250.66 g/mol
Exact Mass249.98
IUPAC Name1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESO=C(Cc1cn2ccsc2n1)C(F)(F)Cl
InChIInChI=1S/C8H5ClF2N2OS/c9-8(10,11)6(14)3-5-4-13-1-2-15-7(13)12-5/h1-2,4H,3H2
InChIKeyWZAJAJZFFYJJRY-UHFFFAOYSA-N
XLogP2.34
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-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-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The IUPAC name of 1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (CID 112574688) is 1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.
What is the SMILES notation for 1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The canonical SMILES for 1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is O=C(Cc1cn2ccsc2n1)C(F)(F)Cl.
What is the InChIKey of 1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The InChIKey is WZAJAJZFFYJJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2OS/c9-8(10,11)6(14)3-5-4-13-1-2-15-7(13)12-5/h1-2,4H,3H2.
What are the key properties of 1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one has a molecular weight of 250.66 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is sourced from PubChem (CID 112574688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).