3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one

C21H16ClNO2S — CID 15619548

IUPAC3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClNO2S/c22-16-6-10-18(11-7-16)25-19-12-8-17(9-13-19)23-20(24)14-26-21(23)15-4-2-1-3-5-15/h1-13,21H,14H2
InChIKeyMQTNBAIYSXVVHW-UHFFFAOYSA-N
MW381.88 g/mol
LogP5.91
Rot. Bonds4

About 3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one

3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 15619548) has the molecular formula C21H16ClNO2S and a molecular weight of 381.88 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID15619548
Molecular FormulaC21H16ClNO2S
Molecular Weight381.88 g/mol
Exact Mass381.06
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClNO2S/c22-16-6-10-18(11-7-16)25-19-12-8-17(9-13-19)23-20(24)14-26-21(23)15-4-2-1-3-5-15/h1-13,21H,14H2
InChIKeyMQTNBAIYSXVVHW-UHFFFAOYSA-N
XLogP5.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.88
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one (CID 15619548) is 3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is MQTNBAIYSXVVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO2S/c22-16-6-10-18(11-7-16)25-19-12-8-17(9-13-19)23-20(24)14-26-21(23)15-4-2-1-3-5-15/h1-13,21H,14H2.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one?
3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 381.88 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)phenyl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 15619548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).