4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one

C11H10Cl3NO2S — CID 23333665

IUPAC4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one
SMILESCOc1ccc(N2SC(Cl)(Cl)C(C)(Cl)C2=O)cc1
InChIInChI=1S/C11H10Cl3NO2S/c1-10(12)9(16)15(18-11(10,13)14)7-3-5-8(17-2)6-4-7/h3-6H,1-2H3
InChIKeyGCWLMZSFLQZQDT-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.82
Rot. Bonds2

About 4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one

4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one (PubChem CID 23333665) has the molecular formula C11H10Cl3NO2S and a molecular weight of 326.63 g/mol. Its IUPAC name is 4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one
PubChem CID23333665
Molecular FormulaC11H10Cl3NO2S
Molecular Weight326.63 g/mol
Exact Mass324.95
IUPAC Name4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one
SMILESCOc1ccc(N2SC(Cl)(Cl)C(C)(Cl)C2=O)cc1
InChIInChI=1S/C11H10Cl3NO2S/c1-10(12)9(16)15(18-11(10,13)14)7-3-5-8(17-2)6-4-7/h3-6H,1-2H3
InChIKeyGCWLMZSFLQZQDT-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one?
The IUPAC name of 4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one (CID 23333665) is 4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one.
What is the SMILES notation for 4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one?
The canonical SMILES for 4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one is COc1ccc(N2SC(Cl)(Cl)C(C)(Cl)C2=O)cc1.
What is the InChIKey of 4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one?
The InChIKey is GCWLMZSFLQZQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO2S/c1-10(12)9(16)15(18-11(10,13)14)7-3-5-8(17-2)6-4-7/h3-6H,1-2H3.
What are the key properties of 4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one?
4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one has a molecular weight of 326.63 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one is sourced from PubChem (CID 23333665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).