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

C9H5ClFNOS — CID 43286716

IUPAC4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C9H5ClFNOS/c10-6-3-5(1-2-7(6)11)8-4-14-9(13)12-8/h1-4H,(H,12,13)
InChIKeyQDGWZISVKJASEZ-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.90
Rot. Bonds1

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

4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one (PubChem CID 43286716) has the molecular formula C9H5ClFNOS and a molecular weight of 229.66 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one
PubChem CID43286716
Molecular FormulaC9H5ClFNOS
Molecular Weight229.66 g/mol
Exact Mass228.98
IUPAC Name4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C9H5ClFNOS/c10-6-3-5(1-2-7(6)11)8-4-14-9(13)12-8/h1-4H,(H,12,13)
InChIKeyQDGWZISVKJASEZ-UHFFFAOYSA-N
XLogP2.90
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-4-phenylthiazole
CID 698903
4-(4-Chlorophenyl)-2-hydroxythiazole
CID 244634
4-(2-Fluorophenyl)-2,3-dihydro-1,3-thiazol-2-one
CID 43286787
4-(3-Chlorophenyl)thiazole-2-thiol
CID 17800836
4-(3-Chlorophenyl)-2,3-dihydro-1,3-thiazol-2-one
CID 43286729
4-(4-Fluorophenyl)-1,3-thiazol-2-OL
CID 43286749
4-(2-Chlorophenyl)-2,3-dihydro-1,3-thiazol-2-one
CID 43286752
4-(3-Fluorophenyl)-2,3-dihydro-1,3-thiazol-2-one
CID 43286718
2-Hydroxy-5-(2-chloroethyl)-4-(4-fluorophenyl)thiazole
CID 15462098
(Z)-2-amino-2-(3-chloro-2-fluorophenyl)ethenethiol
CID 88904475
(Z)-2-amino-2-(5-chloro-2-fluorophenyl)ethenethiol
CID 89400173
4-(3-chloro-4-fluorophenyl)-2H-1,3-thiazol-3-amine
CID 89662536

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one (CID 43286716) is 4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one is O=c1[nH]c(-c2ccc(F)c(Cl)c2)cs1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one?
The InChIKey is QDGWZISVKJASEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNOS/c10-6-3-5(1-2-7(6)11)8-4-14-9(13)12-8/h1-4H,(H,12,13).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one?
4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one has a molecular weight of 229.66 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 43286716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).