2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one

C18H18ClNOS — CID 11842587

IUPAC2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNOS/c1-12(2)13-5-9-16(10-6-13)20-17(21)11-22-18(20)14-3-7-15(19)8-4-14/h3-10,12,18H,11H2,1-2H3
InChIKeyRPRCHNYNMNIOAN-UHFFFAOYSA-N
MW331.87 g/mol
LogP5.24
Rot. Bonds3

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

2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one (PubChem CID 11842587) has the molecular formula C18H18ClNOS and a molecular weight of 331.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
PubChem CID11842587
Molecular FormulaC18H18ClNOS
Molecular Weight331.87 g/mol
Exact Mass331.08
IUPAC Name2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNOS/c1-12(2)13-5-9-16(10-6-13)20-17(21)11-22-18(20)14-3-7-15(19)8-4-14/h3-10,12,18H,11H2,1-2H3
InChIKeyRPRCHNYNMNIOAN-UHFFFAOYSA-N
XLogP5.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.87
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one (CID 11842587) is 2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one is CC(C)c1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is RPRCHNYNMNIOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNOS/c1-12(2)13-5-9-16(10-6-13)20-17(21)11-22-18(20)14-3-7-15(19)8-4-14/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 331.87 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 11842587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).