2-(3-chlorophenyl)-1,3-thiazolidin-4-one

C9H8ClNOS — CID 5050533

IUPAC2-(3-chlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Cl)c2)N1
InChIInChI=1S/C9H8ClNOS/c10-7-3-1-2-6(4-7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)
InChIKeyLPMOPTZNRGZJAP-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.20
Rot. Bonds1

About 2-(3-chlorophenyl)-1,3-thiazolidin-4-one

2-(3-chlorophenyl)-1,3-thiazolidin-4-one (PubChem CID 5050533) has the molecular formula C9H8ClNOS and a molecular weight of 213.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1,3-thiazolidin-4-one
PubChem CID5050533
Molecular FormulaC9H8ClNOS
Molecular Weight213.69 g/mol
Exact Mass213.00
IUPAC Name2-(3-chlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Cl)c2)N1
InChIInChI=1S/C9H8ClNOS/c10-7-3-1-2-6(4-7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)
InChIKeyLPMOPTZNRGZJAP-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-1,3-thiazolidin-4-one (CID 5050533) is 2-(3-chlorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(Cl)c2)N1.
What is the InChIKey of 2-(3-chlorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is LPMOPTZNRGZJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS/c10-7-3-1-2-6(4-7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12).
What are the key properties of 2-(3-chlorophenyl)-1,3-thiazolidin-4-one?
2-(3-chlorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 213.69 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5050533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).