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

C9H5ClFNOS — CID 130501303

IUPAC2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2F)=N1
InChIInChI=1S/C9H5ClFNOS/c10-5-1-2-6(7(11)3-5)9-12-8(13)4-14-9/h1-3H,4H2
InChIKeyXOFRIWCYKQGQFQ-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.50
Rot. Bonds1

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

2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one (PubChem CID 130501303) has the molecular formula C9H5ClFNOS and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one
PubChem CID130501303
Molecular FormulaC9H5ClFNOS
Molecular Weight229.66 g/mol
Exact Mass228.98
IUPAC Name2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2F)=N1
InChIInChI=1S/C9H5ClFNOS/c10-5-1-2-6(7(11)3-5)9-12-8(13)4-14-9/h1-3H,4H2
InChIKeyXOFRIWCYKQGQFQ-UHFFFAOYSA-N
XLogP2.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-4,5-dihydrothiazole
CID 202677
5-(4-Chlorophenyl)-1,2,4-dithiazol-3-one
CID 12365796
5-(2-chloro-6-fluorobenzylidene)-2-phenyl-1,3-thiazol-4(5H)-one
CID 1741161
2-(2-Chloro-6-fluorophenyl)-1,3-thiazol-4-one
CID 130501300
2-(4-Chlorophenyl)-1,3-thiazole-4,5-dione
CID 12365789
2-(4-chlorophenyl)-4H-1,3-thiazol-5-one
CID 12868618
(5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 164672822
5-[(2-Chloro-6-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 869606
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 1741162
2-(4-Fluorophenyl)-1,3-thiazol-4(5H)-one
CID 46783288
2-[(4-Chloro-2-fluorophenyl)methylsulfanyl]acetamide
CID 100461282
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide
CID 100538896

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one (CID 130501303) is 2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one is O=C1CSC(c2ccc(Cl)cc2F)=N1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one?
The InChIKey is XOFRIWCYKQGQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNOS/c10-5-1-2-6(7(11)3-5)9-12-8(13)4-14-9/h1-3H,4H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one?
2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one has a molecular weight of 229.66 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1,3-thiazol-4-one is sourced from PubChem (CID 130501303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).