2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one

C9H5ClFNOS — CID 615184

IUPAC2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one
SMILESO=c1ccsn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H5ClFNOS/c10-7-5-6(1-2-8(7)11)12-9(13)3-4-14-12/h1-5H
InChIKeyOOOJWRSQJXGEDS-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.69
Rot. Bonds1

About 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one

2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one (PubChem CID 615184) has the molecular formula C9H5ClFNOS and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one
PubChem CID615184
Molecular FormulaC9H5ClFNOS
Molecular Weight229.66 g/mol
Exact Mass228.98
IUPAC Name2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one
SMILESO=c1ccsn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H5ClFNOS/c10-7-5-6(1-2-8(7)11)12-9(13)3-4-14-12/h1-5H
InChIKeyOOOJWRSQJXGEDS-UHFFFAOYSA-N
XLogP2.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-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

Rhodanine, 3-(m-chlorophenyl)-
CID 99599
N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
CID 532127
1-(3-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 248003
1-(3-Chloro-4-fluorophenyl)-1H-pyrrole-2,5-dione
CID 543176
N-(3-chlorophenyl)-2-sulfanylacetamide
CID 781339
N-(3,5-Dichlorophenyl)maleimide
CID 152667
N-(3-chlorophenyl)prop-2-enamide
CID 245968
N-(3-Chloro-4-fluorophenyl)acetamide
CID 589188
N-(3-chloro-4-fluorophenyl)propanamide
CID 699697
5-chloro-2-(4-chlorophenyl)-4-methyl-3(2H)-isothiazolone
CID 759209
N1-(3-chloro-4-fluorophenyl)-2-(methylthio)acetamide
CID 2806035
2-(3-chloro-2-fluorophenyl)isothiazol-3(2H)-one
CID 615185

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one (CID 615184) is 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one is O=c1ccsn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one?
The InChIKey is OOOJWRSQJXGEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNOS/c10-7-5-6(1-2-8(7)11)12-9(13)3-4-14-12/h1-5H.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one?
2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one has a molecular weight of 229.66 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one is sourced from PubChem (CID 615184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).