5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one

C21H15NO2S2 — CID 3469157

IUPAC5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(=C1SC(=S)N(c2ccc3ccccc3c2)C1=O)c1cccc(O)c1
InChIInChI=1S/C21H15NO2S2/c1-13(15-7-4-8-18(23)12-15)19-20(24)22(21(25)26-19)17-10-9-14-5-2-3-6-16(14)11-17/h2-12,23H,1H3
InChIKeyCWRPYMOSMZIGAF-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.34
Rot. Bonds2

About 5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one

5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 3469157) has the molecular formula C21H15NO2S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID3469157
Molecular FormulaC21H15NO2S2
Molecular Weight377.49 g/mol
Exact Mass377.05
IUPAC Name5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(=C1SC(=S)N(c2ccc3ccccc3c2)C1=O)c1cccc(O)c1
InChIInChI=1S/C21H15NO2S2/c1-13(15-7-4-8-18(23)12-15)19-20(24)22(21(25)26-19)17-10-9-14-5-2-3-6-16(14)11-17/h2-12,23H,1H3
InChIKeyCWRPYMOSMZIGAF-UHFFFAOYSA-N
XLogP5.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1331860
methyl 2-[(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 18841263
(5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-(4-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18838884
5-[1-(3-bromophenyl)ethylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3874083
(5E)-5-[1-(3-bromophenyl)ethylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1332016
(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1387485
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1417977
2-[4-[(5Z)-5-[1-(4-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetic acid
CID 18839199
5-[(3-fluorophenyl)methylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1386768
5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 173393272
(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18838874
2-[3-[(E)-(3-naphthalen-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]butanoic acid
CID 43862225

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 3469157) is 5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one is CC(=C1SC(=S)N(c2ccc3ccccc3c2)C1=O)c1cccc(O)c1.
What is the InChIKey of 5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CWRPYMOSMZIGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2S2/c1-13(15-7-4-8-18(23)12-15)19-20(24)22(21(25)26-19)17-10-9-14-5-2-3-6-16(14)11-17/h2-12,23H,1H3.
What are the key properties of 5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 377.49 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 3469157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).