5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one

C10H10ClNOS2 — CID 54226492

IUPAC5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1cccc(N2CSC(Cl)C2=O)c1
InChIInChI=1S/C10H10ClNOS2/c1-14-8-4-2-3-7(5-8)12-6-15-9(11)10(12)13/h2-5,9H,6H2,1H3
InChIKeyQGFKTVIVTLLCNT-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.01
Rot. Bonds2

About 5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one

5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one (PubChem CID 54226492) has the molecular formula C10H10ClNOS2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one
PubChem CID54226492
Molecular FormulaC10H10ClNOS2
Molecular Weight259.78 g/mol
Exact Mass258.99
IUPAC Name5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1cccc(N2CSC(Cl)C2=O)c1
InChIInChI=1S/C10H10ClNOS2/c1-14-8-4-2-3-7(5-8)12-6-15-9(11)10(12)13/h2-5,9H,6H2,1H3
InChIKeyQGFKTVIVTLLCNT-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-phenyl-1,3-thiazolidin-4-one
CID 54121276
3-bromo-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 63788574
4-(chloromethyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 168507625
3-tert-butyl-1-(3-methylsulfanylphenyl)piperazine-2,5-dione
CID 64961811
(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2433248
(1S,2R,6R,7S)-1,7,8,9,10,10-hexachloro-4-(3-methylsulfanylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98549174
(1R,2S,6S,7R)-1,7,8,9,10,10-hexachloro-4-(3-methylsulfanylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99951002
(1R,2R,6S,7R)-1,7,8,9,10,10-hexachloro-4-(3-methylsulfanylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99951004
3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 11435994
3,3-dimethyl-1-(3-methylsulfanylphenyl)-1,4-diazepane-2,5-dione
CID 64961812
9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961778
(3R)-N-(5-chloro-2-methylphenyl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502342

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one (CID 54226492) is 5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one is CSc1cccc(N2CSC(Cl)C2=O)c1.
What is the InChIKey of 5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is QGFKTVIVTLLCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS2/c1-14-8-4-2-3-7(5-8)12-6-15-9(11)10(12)13/h2-5,9H,6H2,1H3.
What are the key properties of 5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 259.78 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-methylsulfanylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 54226492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).