(5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C16H11NO2S2 — CID 122580042

IUPAC(5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccccc1-c1cccc(O)c1
InChIInChI=1S/C16H11NO2S2/c18-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-14-15(19)17-16(20)21-14/h1-9,18H,(H,17,19,20)/b14-9-
InChIKeyNKIXZTDIGZOHFS-ZROIWOOFSA-N
MW313.40 g/mol
LogP3.55
Rot. Bonds2

About (5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 122580042) has the molecular formula C16H11NO2S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID122580042
Molecular FormulaC16H11NO2S2
Molecular Weight313.40 g/mol
Exact Mass313.02
IUPAC Name(5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccccc1-c1cccc(O)c1
InChIInChI=1S/C16H11NO2S2/c18-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-14-15(19)17-16(20)21-14/h1-9,18H,(H,17,19,20)/b14-9-
InChIKeyNKIXZTDIGZOHFS-ZROIWOOFSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 122580042) is (5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1ccccc1-c1cccc(O)c1.
What is the InChIKey of (5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is NKIXZTDIGZOHFS-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H11NO2S2/c18-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-14-15(19)17-16(20)21-14/h1-9,18H,(H,17,19,20)/b14-9-.
What are the key properties of (5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 313.40 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 122580042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).