(5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

C19H11FN2O2S2 — CID 59039042

IUPAC(5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc3ccccc3nc2Sc2ccc(F)cc2)S1
InChIInChI=1S/C19H11FN2O2S2/c20-13-5-7-14(8-6-13)25-18-12(10-16-17(23)22-19(24)26-16)9-11-3-1-2-4-15(11)21-18/h1-10H,(H,22,23,24)/b16-10+
InChIKeyNYBPXDWNIUKIEA-MHWRWJLKSA-N
MW382.44 g/mol
LogP4.85
Rot. Bonds3

About (5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 59039042) has the molecular formula C19H11FN2O2S2 and a molecular weight of 382.44 g/mol. Its IUPAC name is (5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID59039042
Molecular FormulaC19H11FN2O2S2
Molecular Weight382.44 g/mol
Exact Mass382.02
IUPAC Name(5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc3ccccc3nc2Sc2ccc(F)cc2)S1
InChIInChI=1S/C19H11FN2O2S2/c20-13-5-7-14(8-6-13)25-18-12(10-16-17(23)22-19(24)26-16)9-11-3-1-2-4-15(11)21-18/h1-10H,(H,22,23,24)/b16-10+
InChIKeyNYBPXDWNIUKIEA-MHWRWJLKSA-N
XLogP4.85
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-[[2-(4-chlorophenyl)sulfanyl-6-methoxyquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17101170
2-phenylsulfanylquinoline-3-carbaldehyde
CID 55238193
(5E)-5-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87404156
(5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 156538731
5-[(4-fluoro-2-pyrazin-2-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 90714732
(5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 171368956
(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243788
(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 56662949
5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 173069409
(5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 56679983
(5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1490858
(5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 89110146

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 59039042) is (5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cc3ccccc3nc2Sc2ccc(F)cc2)S1.
What is the InChIKey of (5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is NYBPXDWNIUKIEA-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H11FN2O2S2/c20-13-5-7-14(8-6-13)25-18-12(10-16-17(23)22-19(24)26-16)9-11-3-1-2-4-15(11)21-18/h1-10H,(H,22,23,24)/b16-10+.
What are the key properties of (5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 382.44 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[2-(4-fluorophenyl)sulfanylquinolin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 59039042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).