(5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

C18H12N2O2S2 — CID 25211751

IUPAC(5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cscc1-c1ccnc2ccc(/C=C3/SC(=O)NC3=O)cc12
InChIInChI=1S/C18H12N2O2S2/c1-10-8-23-9-14(10)12-4-5-19-15-3-2-11(6-13(12)15)7-16-17(21)20-18(22)24-16/h2-9H,1H3,(H,20,21,22)/b16-7+
InChIKeyXOFIZTJAVUVUMX-FRKPEAEDSA-N
MW352.44 g/mol
LogP4.60
Rot. Bonds2

About (5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 25211751) has the molecular formula C18H12N2O2S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID25211751
Molecular FormulaC18H12N2O2S2
Molecular Weight352.44 g/mol
Exact Mass352.03
IUPAC Name(5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cscc1-c1ccnc2ccc(/C=C3/SC(=O)NC3=O)cc12
InChIInChI=1S/C18H12N2O2S2/c1-10-8-23-9-14(10)12-4-5-19-15-3-2-11(6-13(12)15)7-16-17(21)20-18(22)24-16/h2-9H,1H3,(H,20,21,22)/b16-7+
InChIKeyXOFIZTJAVUVUMX-FRKPEAEDSA-N
XLogP4.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.60
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-[[4-(4-methylthiophen-3-yl)quinolin-6-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-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 23658356
(5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87656797
(5Z)-5-[[4-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211749
(5E)-5-[[4-(1-benzothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211645
(5E)-5-[[4-[5-(3-methoxyphenyl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25212048
(5E)-5-[[4-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211748
(5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211849
(5E)-5-[[4-[5-[2-(3-hydroxyphenyl)ethynyl]thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25212049
5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 25211845
(5E)-5-[(4-thiophen-3-ylquinazolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 25212143
N-butyl-3-[5-[6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]thiophen-2-yl]benzenesulfonamide
CID 87633925
2-(2,6-dichlorophenyl)imino-5-[(4-phenylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 136628070

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 25211751) is (5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1cscc1-c1ccnc2ccc(/C=C3/SC(=O)NC3=O)cc12.
What is the InChIKey of (5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is XOFIZTJAVUVUMX-FRKPEAEDSA-N. The full InChI is InChI=1S/C18H12N2O2S2/c1-10-8-23-9-14(10)12-4-5-19-15-3-2-11(6-13(12)15)7-16-17(21)20-18(22)24-16/h2-9H,1H3,(H,20,21,22)/b16-7+.
What are the key properties of (5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 352.44 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 25211751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).