5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine

C31H31NS — CID 174950429

IUPAC5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine
SMILESCC(C)(C)c1ccc(C2SCN(c3ccc(-c4ccccc4)cc3)C2c2ccccc2)cc1
InChIInChI=1S/C31H31NS/c1-31(2,3)27-18-14-26(15-19-27)30-29(25-12-8-5-9-13-25)32(22-33-30)28-20-16-24(17-21-28)23-10-6-4-7-11-23/h4-21,29-30H,22H2,1-3H3
InChIKeyLTCVEFHLWLQTJM-UHFFFAOYSA-N
MW449.66 g/mol
LogP8.64
Rot. Bonds4

About 5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine

5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine (PubChem CID 174950429) has the molecular formula C31H31NS and a molecular weight of 449.66 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine
PubChem CID174950429
Molecular FormulaC31H31NS
Molecular Weight449.66 g/mol
Exact Mass449.22
IUPAC Name5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine
SMILESCC(C)(C)c1ccc(C2SCN(c3ccc(-c4ccccc4)cc3)C2c2ccccc2)cc1
InChIInChI=1S/C31H31NS/c1-31(2,3)27-18-14-26(15-19-27)30-29(25-12-8-5-9-13-25)32(22-33-30)28-20-16-24(17-21-28)23-10-6-4-7-11-23/h4-21,29-30H,22H2,1-3H3
InChIKeyLTCVEFHLWLQTJM-UHFFFAOYSA-N
XLogP8.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.66
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine?
The IUPAC name of 5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine (CID 174950429) is 5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine?
The canonical SMILES for 5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine is CC(C)(C)c1ccc(C2SCN(c3ccc(-c4ccccc4)cc3)C2c2ccccc2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine?
The InChIKey is LTCVEFHLWLQTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NS/c1-31(2,3)27-18-14-26(15-19-27)30-29(25-12-8-5-9-13-25)32(22-33-30)28-20-16-24(17-21-28)23-10-6-4-7-11-23/h4-21,29-30H,22H2,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine?
5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine has a molecular weight of 449.66 g/mol, XLogP of 8.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine is sourced from PubChem (CID 174950429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).