4-(3-chlorophenyl)-3H-1,3-thiazol-2-one

C9H6ClNOS — CID 43286729

IUPAC4-(3-chlorophenyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2cccc(Cl)c2)cs1
InChIInChI=1S/C9H6ClNOS/c10-7-3-1-2-6(4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKeyJSSIKAYQGBLIBU-UHFFFAOYSA-N
MW211.67 g/mol
LogP2.76
Rot. Bonds1

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

4-(3-chlorophenyl)-3H-1,3-thiazol-2-one (PubChem CID 43286729) has the molecular formula C9H6ClNOS and a molecular weight of 211.67 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3H-1,3-thiazol-2-one
PubChem CID43286729
Molecular FormulaC9H6ClNOS
Molecular Weight211.67 g/mol
Exact Mass210.99
IUPAC Name4-(3-chlorophenyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2cccc(Cl)c2)cs1
InChIInChI=1S/C9H6ClNOS/c10-7-3-1-2-6(4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKeyJSSIKAYQGBLIBU-UHFFFAOYSA-N
XLogP2.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-4-phenylthiazole
CID 698903
4-(4-Chlorophenyl)-1,3-thiazole-2-thiol
CID 3720080
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-(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
N-[1-(3-chlorophenyl)ethenyl]acetamide
CID 101139286
N-[(E)-1-(3-chlorophenyl)prop-1-enyl]acetamide
CID 50993474
4-(3-chloro-4-fluorophenyl)-3H-1,3-thiazol-2-one
CID 43286716
4-(2,4-dichloro-5-fluorophenyl)-3H-1,3-thiazol-2-one
CID 60929122

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(3-chlorophenyl)-3H-1,3-thiazol-2-one (CID 43286729) is 4-(3-chlorophenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-3H-1,3-thiazol-2-one is O=c1[nH]c(-c2cccc(Cl)c2)cs1.
What is the InChIKey of 4-(3-chlorophenyl)-3H-1,3-thiazol-2-one?
The InChIKey is JSSIKAYQGBLIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS/c10-7-3-1-2-6(4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12).
What are the key properties of 4-(3-chlorophenyl)-3H-1,3-thiazol-2-one?
4-(3-chlorophenyl)-3H-1,3-thiazol-2-one has a molecular weight of 211.67 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 43286729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).