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

C17H9ClN2O2S2 — CID 87656797

IUPAC(5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccc(Cl)s4)c3c2)S1
InChIInChI=1S/C17H9ClN2O2S2/c18-15-4-3-13(23-15)10-5-6-19-12-2-1-9(7-11(10)12)8-14-16(21)20-17(22)24-14/h1-8H,(H,20,21,22)/b14-8-
InChIKeyXHOFOKVCJIDOJL-ZSOIEALJSA-N
MW372.86 g/mol
LogP4.94
Rot. Bonds2

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

(5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 87656797) has the molecular formula C17H9ClN2O2S2 and a molecular weight of 372.86 g/mol. Its IUPAC name is (5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID87656797
Molecular FormulaC17H9ClN2O2S2
Molecular Weight372.86 g/mol
Exact Mass371.98
IUPAC Name(5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccc(Cl)s4)c3c2)S1
InChIInChI=1S/C17H9ClN2O2S2/c18-15-4-3-13(23-15)10-5-6-19-12-2-1-9(7-11(10)12)8-14-16(21)20-17(22)24-14/h1-8H,(H,20,21,22)/b14-8-
InChIKeyXHOFOKVCJIDOJL-ZSOIEALJSA-N
XLogP4.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.94
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 (5Z)-5-[[4-(5-chlorothiophen-2-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

Gsk-1059615
CID 23582824
(5e)-5-(Quinolin-6-Ylmethylidene)-2-[(Thiophen-2-Ylmethyl)amino]-1,3-Thiazol-4(5h)-One
CID 135398497
(5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one
CID 135400873
PI3K inhibitor GS1059615
CID 71317162
(5Z)-2-[(3-methylthiophen-2-yl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135407460
Sdccgrch-0000066.P001
CID 135428190
RO3306
CID 136240579
(5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 11608563
N-[4-[5-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]thiophen-2-yl]phenyl]acetamide
CID 118728616
N-[4-[5-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]thiophen-2-yl]phenyl]acetamide
CID 118728617
Sdccgrch-0000191.P001
CID 135950084
(5E)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 23658330

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 87656797) is (5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccc(Cl)s4)c3c2)S1.
What is the InChIKey of (5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is XHOFOKVCJIDOJL-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H9ClN2O2S2/c18-15-4-3-13(23-15)10-5-6-19-12-2-1-9(7-11(10)12)8-14-16(21)20-17(22)24-14/h1-8H,(H,20,21,22)/b14-8-.
What are the key properties of (5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 372.86 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87656797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).