(5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

C13H7ClN2O2S — CID 18669003

IUPAC(5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3ccccc3nc2Cl)S1
InChIInChI=1S/C13H7ClN2O2S/c14-11-8(6-10-12(17)16-13(18)19-10)5-7-3-1-2-4-9(7)15-11/h1-6H,(H,16,17,18)/b10-6-
InChIKeyUIOFCEMFKABUAU-POHAHGRESA-N
MW290.73 g/mol
LogP3.21
Rot. Bonds1

About (5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18669003) has the molecular formula C13H7ClN2O2S and a molecular weight of 290.73 g/mol. Its IUPAC name is (5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18669003
Molecular FormulaC13H7ClN2O2S
Molecular Weight290.73 g/mol
Exact Mass289.99
IUPAC Name(5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3ccccc3nc2Cl)S1
InChIInChI=1S/C13H7ClN2O2S/c14-11-8(6-10-12(17)16-13(18)19-10)5-7-3-1-2-4-9(7)15-11/h1-6H,(H,16,17,18)/b10-6-
InChIKeyUIOFCEMFKABUAU-POHAHGRESA-N
XLogP3.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 11608563
(5Z)-5-(quinolin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17129569
(5Z)-5-(acridin-9-ylmethylidene)-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 60199218
(z)-5-((2-Chloroquinolin-3-yl)methylene)-2-thioxothiazolidin-4-one
CID 52103428
(5Z)-5-[(2-chloro-6,8-dimethylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 90682395
(5Z)-5-[(2-chloro-5,8-dimethylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 90682396
(5Z)-5-[(2-chloro-8-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 8271708
(5Z)-5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 8271712
2-(2-Chloro-3-quinolyl)-3-phenyl-thiazolidin-4-one
CID 11099907
(5Z)-5-[(2-Chloro-6-methylquinolin-3-YL)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 39973901
(5Z)-5-[(2-chloro-8-ethylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 90682394
(5Z)-5-[(2,6-dichloroquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 134137350

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 18669003) is (5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc3ccccc3nc2Cl)S1.
What is the InChIKey of (5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is UIOFCEMFKABUAU-POHAHGRESA-N. The full InChI is InChI=1S/C13H7ClN2O2S/c14-11-8(6-10-12(17)16-13(18)19-10)5-7-3-1-2-4-9(7)15-11/h1-6H,(H,16,17,18)/b10-6-.
What are the key properties of (5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 290.73 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18669003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).