5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one

C12H9N3OS — CID 173010314

IUPAC5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1NCSC1=Cc1ccc2nccnc2c1
InChIInChI=1S/C12H9N3OS/c16-12-11(17-7-15-12)6-8-1-2-9-10(5-8)14-4-3-13-9/h1-6H,7H2,(H,15,16)
InChIKeyOAXGTCLEKNKWOV-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.79
Rot. Bonds1

About 5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one

5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 173010314) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID173010314
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1NCSC1=Cc1ccc2nccnc2c1
InChIInChI=1S/C12H9N3OS/c16-12-11(17-7-15-12)6-8-1-2-9-10(5-8)14-4-3-13-9/h1-6H,7H2,(H,15,16)
InChIKeyOAXGTCLEKNKWOV-UHFFFAOYSA-N
XLogP1.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-tert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 54468549
(5E)-2-methylsulfanyl-5-(quinoxalin-6-ylmethylidene)-1,3-thiazol-4-one
CID 69254000
sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride
CID 173098108
(5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 70684331
2-(3-benzoyl-2-chlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136651665
N-[4-chloro-3-[[4-oxo-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]phenyl]ethanesulfonamide
CID 136652412
(5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 168510639
4-[(5Z)-4-oxo-5-(quinoxalin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 6237434
5-(quinazolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 141171084
(5Z)-4-methylidene-5-(quinoxalin-6-ylmethylidene)imidazolidine-2-thione
CID 170264738
N-[(5Z)-4-oxo-5-(quinoxalin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
CID 50739930
(5Z)-3-(3-chloro-4-fluorophenyl)-5-(quinoxalin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50739926

Frequently Asked Questions

What is the IUPAC name of 5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 173010314) is 5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C1NCSC1=Cc1ccc2nccnc2c1.
What is the InChIKey of 5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is OAXGTCLEKNKWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c16-12-11(17-7-15-12)6-8-1-2-9-10(5-8)14-4-3-13-9/h1-6H,7H2,(H,15,16).
What are the key properties of 5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one?
5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 243.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 173010314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).