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

C20H22ClNO2S — CID 4596325

IUPAC2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCCCCOc1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO2S/c1-2-3-4-13-24-18-11-9-17(10-12-18)22-19(23)14-25-20(22)15-5-7-16(21)8-6-15/h5-12,20H,2-4,13-14H2,1H3
InChIKeyMQIYGCKLLICAOI-UHFFFAOYSA-N
MW375.92 g/mol
LogP5.69
Rot. Bonds7

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

2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 4596325) has the molecular formula C20H22ClNO2S and a molecular weight of 375.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID4596325
Molecular FormulaC20H22ClNO2S
Molecular Weight375.92 g/mol
Exact Mass375.11
IUPAC Name2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCCCCOc1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO2S/c1-2-3-4-13-24-18-11-9-17(10-12-18)22-19(23)14-25-20(22)15-5-7-16(21)8-6-15/h5-12,20H,2-4,13-14H2,1H3
InChIKeyMQIYGCKLLICAOI-UHFFFAOYSA-N
XLogP5.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.92
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one (CID 4596325) is 2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one is CCCCCOc1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is MQIYGCKLLICAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2S/c1-2-3-4-13-24-18-11-9-17(10-12-18)22-19(23)14-25-20(22)15-5-7-16(21)8-6-15/h5-12,20H,2-4,13-14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 375.92 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-pentoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4596325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).