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

C15H8N2O2S3 — CID 2019480

IUPAC(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1NC(=S)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)S1
InChIInChI=1S/C15H8N2O2S3/c18-15-17-13(20)12(22-15)7-8-5-6-10(19-8)14-16-9-3-1-2-4-11(9)21-14/h1-7H,(H,17,18,20)/b12-7-
InChIKeyMKQQGLKYMSNYAN-GHXNOFRVSA-N
MW344.44 g/mol
LogP4.68
Rot. Bonds2

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

(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 2019480) has the molecular formula C15H8N2O2S3 and a molecular weight of 344.44 g/mol. Its IUPAC name is (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID2019480
Molecular FormulaC15H8N2O2S3
Molecular Weight344.44 g/mol
Exact Mass343.97
IUPAC Name(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1NC(=S)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)S1
InChIInChI=1S/C15H8N2O2S3/c18-15-17-13(20)12(22-15)7-8-5-6-10(19-8)14-16-9-3-1-2-4-11(9)21-14/h1-7H,(H,17,18,20)/b12-7-
InChIKeyMKQQGLKYMSNYAN-GHXNOFRVSA-N
XLogP4.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one
CID 138376730
(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2004281
5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 3887887
5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 3828652
5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 4665185
(2R)-2-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate
CID 2037462
(5E)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 26494850
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
4-[5-[(Z)-(2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 6196566
3-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-7-methyl-1H-indol-2-one
CID 5030169
5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3731912
5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 2886693

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (CID 2019480) is (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is O=C1NC(=S)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)S1.
What is the InChIKey of (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is MKQQGLKYMSNYAN-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H8N2O2S3/c18-15-17-13(20)12(22-15)7-8-5-6-10(19-8)14-16-9-3-1-2-4-11(9)21-14/h1-7H,(H,17,18,20)/b12-7-.
What are the key properties of (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 344.44 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 2019480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).