(5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one

C11H9NO2S2 — CID 1365504

IUPAC(5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCOc1ccc(/C=C2/SC(=O)NC2=S)cc1
InChIInChI=1S/C11H9NO2S2/c1-14-8-4-2-7(3-5-8)6-9-10(15)12-11(13)16-9/h2-6H,1H3,(H,12,13,15)/b9-6+
InChIKeyIEEHZFBXMTTZLA-RMKNXTFCSA-N
MW251.33 g/mol
LogP2.82
Rot. Bonds2

About (5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one

(5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 1365504) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID1365504
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC Name(5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCOc1ccc(/C=C2/SC(=O)NC2=S)cc1
InChIInChI=1S/C11H9NO2S2/c1-14-8-4-2-7(3-5-8)6-9-10(15)12-11(13)16-9/h2-6H,1H3,(H,12,13,15)/b9-6+
InChIKeyIEEHZFBXMTTZLA-RMKNXTFCSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_E(8)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 23740525
5-[(3-ethoxy-4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 54112531
4-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-5-one
CID 131888638
(5Z)-5-[(4-nitrophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 7454864
(5Z)-3-tert-butyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6136098
(5E)-5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2277906
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6068845
(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 94654619
5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 2886693
3-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3537593
(5Z)-3-(2-methoxyethyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2179891
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (CID 1365504) is (5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for (5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for (5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is COc1ccc(/C=C2/SC(=O)NC2=S)cc1.
What is the InChIKey of (5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is IEEHZFBXMTTZLA-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H9NO2S2/c1-14-8-4-2-7(3-5-8)6-9-10(15)12-11(13)16-9/h2-6H,1H3,(H,12,13,15)/b9-6+.
What are the key properties of (5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
(5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 1365504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).