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

C13H8N2O2S2 — CID 57396413

IUPAC(5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(-c2ccccn2)o1
InChIInChI=1S/C13H8N2O2S2/c16-12-11(19-13(18)15-12)7-8-4-5-10(17-8)9-3-1-2-6-14-9/h1-7H,(H,15,16,18)/b11-7-
InChIKeyPDRUUQNONSQDNX-XFFZJAGNSA-N
MW288.35 g/mol
LogP2.83
Rot. Bonds2

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

(5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 57396413) has the molecular formula C13H8N2O2S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID57396413
Molecular FormulaC13H8N2O2S2
Molecular Weight288.35 g/mol
Exact Mass288.00
IUPAC Name(5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(-c2ccccn2)o1
InChIInChI=1S/C13H8N2O2S2/c16-12-11(19-13(18)15-12)7-8-4-5-10(17-8)9-3-1-2-6-14-9/h1-7H,(H,15,16,18)/b11-7-
InChIKeyPDRUUQNONSQDNX-XFFZJAGNSA-N
XLogP2.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 57396413) is (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1ccc(-c2ccccn2)o1.
What is the InChIKey of (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is PDRUUQNONSQDNX-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H8N2O2S2/c16-12-11(19-13(18)15-12)7-8-4-5-10(17-8)9-3-1-2-6-14-9/h1-7H,(H,15,16,18)/b11-7-.
What are the key properties of (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 288.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 57396413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).