3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one

C12H9F2N3OS — CID 71923591

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1Cc1nccn1C(F)F
InChIInChI=1S/C12H9F2N3OS/c13-11(14)16-6-5-15-10(16)7-17-8-3-1-2-4-9(8)19-12(17)18/h1-6,11H,7H2
InChIKeyZDICNOVETDWPLF-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.70
Rot. Bonds3

About 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one

3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one (PubChem CID 71923591) has the molecular formula C12H9F2N3OS and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one
PubChem CID71923591
Molecular FormulaC12H9F2N3OS
Molecular Weight281.29 g/mol
Exact Mass281.04
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1Cc1nccn1C(F)F
InChIInChI=1S/C12H9F2N3OS/c13-11(14)16-6-5-15-10(16)7-17-8-3-1-2-4-9(8)19-12(17)18/h1-6,11H,7H2
InChIKeyZDICNOVETDWPLF-UHFFFAOYSA-N
XLogP2.70
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-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

Related Compounds

(R,S)-6-[1-(Imidazol-1-yl)-1phenylmethyl]-3-methyl-1,3-benzo-thiazol-2(3H)-one
CID 42597583
N-(3-imidazolylpropyl)-3-(2-oxo(3-hydrobenzothiazol-3-yl))propanamide
CID 3237436
3-(3-Imidazol-1-ylpropyl)-1,3-benzothiazol-2-one
CID 118733133
Imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 6625296
Imidazo[2,1-d][1,5]benzothiazepine
CID 53709732
N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 17425624
1-[2-(Trifluoromethylsulfonyl)phenyl]imidazole
CID 52855383
6-Fluoro-5-[7-oxo-5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-yl]-3-prop-2-ynyl-1,3-benzothiazol-2-one
CID 21256372
5-[7-Oxo-5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-yl]-3-prop-2-ynyl-1,3-benzothiazol-2-one
CID 21256387
1-(2-Methylsulfonylphenyl)-2-(trifluoromethyl)imidazole
CID 22746905
5,5-Dimethyl-1-[(1-methylimidazol-2-yl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
CID 59694307
1-(2-Ethylsulfanylphenyl)-2-(trifluoromethyl)imidazole
CID 67697189

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one (CID 71923591) is 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one is O=c1sc2ccccc2n1Cc1nccn1C(F)F.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one?
The InChIKey is ZDICNOVETDWPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3OS/c13-11(14)16-6-5-15-10(16)7-17-8-3-1-2-4-9(8)19-12(17)18/h1-6,11H,7H2.
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one?
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one has a molecular weight of 281.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one is sourced from PubChem (CID 71923591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).