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

C9H5ClFNOS — CID 615185

IUPAC2-(3-chloro-2-fluorophenyl)-1,2-thiazol-3-one
SMILESO=c1ccsn1-c1cccc(Cl)c1F
InChIInChI=1S/C9H5ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14-12/h1-5H
InChIKeyFLVXYAGCEOJNQC-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.69
Rot. Bonds1

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

2-(3-chloro-2-fluorophenyl)-1,2-thiazol-3-one (PubChem CID 615185) has the molecular formula C9H5ClFNOS and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1,2-thiazol-3-one
PubChem CID615185
Molecular FormulaC9H5ClFNOS
Molecular Weight229.66 g/mol
Exact Mass228.98
IUPAC Name2-(3-chloro-2-fluorophenyl)-1,2-thiazol-3-one
SMILESO=c1ccsn1-c1cccc(Cl)c1F
InChIInChI=1S/C9H5ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14-12/h1-5H
InChIKeyFLVXYAGCEOJNQC-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1,2-thiazol-3-one?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1,2-thiazol-3-one (CID 615185) is 2-(3-chloro-2-fluorophenyl)-1,2-thiazol-3-one.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1,2-thiazol-3-one?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1,2-thiazol-3-one is O=c1ccsn1-c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1,2-thiazol-3-one?
The InChIKey is FLVXYAGCEOJNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14-12/h1-5H.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1,2-thiazol-3-one?
2-(3-chloro-2-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-2-fluorophenyl)-1,2-thiazol-3-one is sourced from PubChem (CID 615185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).