(5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione

C13H8N2O2S — CID 11608563

IUPAC(5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc3ncccc3c2)S1
InChIInChI=1S/C13H8N2O2S/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-
InChIKeyCBNBVOIOQAFDLQ-XFFZJAGNSA-N
MW256.29 g/mol
LogP2.56
Rot. Bonds1

About (5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 11608563) has the molecular formula C13H8N2O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is (5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID11608563
Molecular FormulaC13H8N2O2S
Molecular Weight256.29 g/mol
Exact Mass256.03
IUPAC Name(5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc3ncccc3c2)S1
InChIInChI=1S/C13H8N2O2S/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-
InChIKeyCBNBVOIOQAFDLQ-XFFZJAGNSA-N
XLogP2.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 11608563) is (5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc3ncccc3c2)S1.
What is the InChIKey of (5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is CBNBVOIOQAFDLQ-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H8N2O2S/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)-1,3-thiazolidine-2,4-dione?
(5Z)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 256.29 g/mol, XLogP of 2.56, 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)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11608563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).