(5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C13H8N2OS2 — CID 11666231

IUPAC(5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
InChIKeyZFGAUFCQRUSRCF-XFFZJAGNSA-N
MW272.35 g/mol
LogP2.72
Rot. Bonds1

About (5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 11666231) has the molecular formula C13H8N2OS2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID11666231
Molecular FormulaC13H8N2OS2
Molecular Weight272.35 g/mol
Exact Mass272.01
IUPAC Name(5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
InChIKeyZFGAUFCQRUSRCF-XFFZJAGNSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
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-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 11666231) is (5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1ccc2ncccc2c1.
What is the InChIKey of (5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is ZFGAUFCQRUSRCF-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-.
What are the key properties of (5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 272.35 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 11666231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).