(5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C11H6N2O2S3 — CID 75364199

IUPAC(5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1csc(-c2ccco2)n1
InChIInChI=1S/C11H6N2O2S3/c14-9-8(18-11(16)13-9)4-6-5-17-10(12-6)7-2-1-3-15-7/h1-5H,(H,13,14,16)/b8-4-
InChIKeyJXQYMWCZDZIPTH-YWEYNIOJSA-N
MW294.38 g/mol
LogP2.89
Rot. Bonds2

About (5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 75364199) has the molecular formula C11H6N2O2S3 and a molecular weight of 294.38 g/mol. Its IUPAC name is (5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID75364199
Molecular FormulaC11H6N2O2S3
Molecular Weight294.38 g/mol
Exact Mass293.96
IUPAC Name(5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1csc(-c2ccco2)n1
InChIInChI=1S/C11H6N2O2S3/c14-9-8(18-11(16)13-9)4-6-5-17-10(12-6)7-2-1-3-15-7/h1-5H,(H,13,14,16)/b8-4-
InChIKeyJXQYMWCZDZIPTH-YWEYNIOJSA-N
XLogP2.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 75364199) is (5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1csc(-c2ccco2)n1.
What is the InChIKey of (5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is JXQYMWCZDZIPTH-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H6N2O2S3/c14-9-8(18-11(16)13-9)4-6-5-17-10(12-6)7-2-1-3-15-7/h1-5H,(H,13,14,16)/b8-4-.
What are the key properties of (5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 294.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 75364199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).