3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one

C17H17NOS — CID 53497781

IUPAC3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCCc1ccc(N2C(=O)CSC2c2ccccc2)cc1
InChIInChI=1S/C17H17NOS/c1-2-13-8-10-15(11-9-13)18-16(19)12-20-17(18)14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3
InChIKeyJGKHIVYGMXEWOF-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.03
Rot. Bonds3

About 3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one

3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 53497781) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID53497781
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCCc1ccc(N2C(=O)CSC2c2ccccc2)cc1
InChIInChI=1S/C17H17NOS/c1-2-13-8-10-15(11-9-13)18-16(19)12-20-17(18)14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3
InChIKeyJGKHIVYGMXEWOF-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one (CID 53497781) is 3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one is CCc1ccc(N2C(=O)CSC2c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is JGKHIVYGMXEWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-13-8-10-15(11-9-13)18-16(19)12-20-17(18)14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one?
3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 283.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 53497781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).