(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'}

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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).