5-chloro-3-phenyl-1,3-thiazolidin-4-one

C9H8ClNOS — CID 54121276

IUPAC5-chloro-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1C(Cl)SCN1c1ccccc1
InChIInChI=1S/C9H8ClNOS/c10-8-9(12)11(6-13-8)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyNNVSWNQGRUIAAV-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.29
Rot. Bonds1

About 5-chloro-3-phenyl-1,3-thiazolidin-4-one

5-chloro-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 54121276) has the molecular formula C9H8ClNOS and a molecular weight of 213.69 g/mol. Its IUPAC name is 5-chloro-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-chloro-3-phenyl-1,3-thiazolidin-4-one
PubChem CID54121276
Molecular FormulaC9H8ClNOS
Molecular Weight213.69 g/mol
Exact Mass213.00
IUPAC Name5-chloro-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1C(Cl)SCN1c1ccccc1
InChIInChI=1S/C9H8ClNOS/c10-8-9(12)11(6-13-8)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyNNVSWNQGRUIAAV-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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2-Chloro-N-ethylacetanilide
CID 94918
3-Phenyl-2,4-thiazolidinedione
CID 221043
3-[4-(Dimethylamino)phenyl]-5-methyl-2-thioxo-1,3-thiazolidin-4-one
CID 2919611
3-[4-(Dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1321754
2-chloro-N-hexyl-N-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-chloro-3-phenyl-1,3-thiazolidin-4-one (CID 54121276) is 5-chloro-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-chloro-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-chloro-3-phenyl-1,3-thiazolidin-4-one is O=C1C(Cl)SCN1c1ccccc1.
What is the InChIKey of 5-chloro-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is NNVSWNQGRUIAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS/c10-8-9(12)11(6-13-8)7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of 5-chloro-3-phenyl-1,3-thiazolidin-4-one?
5-chloro-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 213.69 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 54121276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).