3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

C15H12N2O3S — CID 657890

IUPAC3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(O)cc2)N1c1ccc(O)cc1
InChIInChI=1S/C15H12N2O3S/c18-12-5-1-10(2-6-12)16-15-17(14(20)9-21-15)11-3-7-13(19)8-4-11/h1-8,18-19H,9H2/b16-15-
InChIKeyMTOYETQLSOTTPO-NXVVXOECSA-N
MW300.34 g/mol
LogP2.87
Rot. Bonds2

About 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 657890) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID657890
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(O)cc2)N1c1ccc(O)cc1
InChIInChI=1S/C15H12N2O3S/c18-12-5-1-10(2-6-12)16-15-17(14(20)9-21-15)11-3-7-13(19)8-4-11/h1-8,18-19H,9H2/b16-15-
InChIKeyMTOYETQLSOTTPO-NXVVXOECSA-N
XLogP2.87
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Hydroxyphenyl)-2-thioxo-4-thiazolidinone
CID 210591
2-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-phenylacetamide
CID 135520999
2-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-(4-methylphenyl)acetamide
CID 135439771
3-(4-Methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone
CID 1241395
{2-[(4-Hydroxyphenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetic acid
CID 2893049
2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135435921
(5Z)-2-(4-hydroxy-N-methylanilino)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazol-4-one
CID 1181853
2-(Ethylimino)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1285995
2-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-(2-methylphenyl)acetamide
CID 135486272
2-[(4-hydroxyphenyl)(methyl)amino]-1,3-thiazol-4(5H)-one
CID 753487
Benzaldehyde [3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 5336546
2-(ethylsulfanyl)-6-hydroxy-3-(4-methoxyphenyl)pyrimidin-4(3H)-one
CID 135420390

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 657890) is 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccc(O)cc2)N1c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is MTOYETQLSOTTPO-NXVVXOECSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-12-5-1-10(2-6-12)16-15-17(14(20)9-21-15)11-3-7-13(19)8-4-11/h1-8,18-19H,9H2/b16-15-.
What are the key properties of 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 300.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 657890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).