3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one

C27H24N2O4S — CID 16633709

About 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one

3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 16633709) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one
• PubChem CID: 16633709
• Molecular Formula: C27H24N2O4S
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.15
• IUPAC Name: 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one
• SMILES: O=C(CC1S/C(=N\c2ccc(O)cc2)N(c2ccc(O)cc2)C1=O)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C27H24N2O4S/c30-22-11-7-20(8-12-22)28-27-29(21-9-13-23(31)14-10-21)26(33)25(34-27)16-24(32)19-6-5-17-3-1-2-4-18(17)15-19/h5-15,25,30-31H,1-4,16H2/b28-27-
• InChIKey: CCHXBBKGXDDWDV-DQSJHHFOSA-N
• XLogP: 5.39
• TPSA: 90.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one?

The IUPAC name of 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one (CID 16633709) is 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one.

What is the SMILES notation for 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one?

The canonical SMILES for 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one is O=C(CC1S/C(=N\c2ccc(O)cc2)N(c2ccc(O)cc2)C1=O)c1ccc2c(c1)CCCC2.

What is the InChIKey of 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one?

The InChIKey is CCHXBBKGXDDWDV-DQSJHHFOSA-N. The full InChI is InChI=1S/C27H24N2O4S/c30-22-11-7-20(8-12-22)28-27-29(21-9-13-23(31)14-10-21)26(33)25(34-27)16-24(32)19-6-5-17-3-1-2-4-18(17)15-19/h5-15,25,30-31H,1-4,16H2/b28-27-.

What are the key properties of 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one?

3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 472.57 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).