5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

C16H9N3O3S — CID 74430618

IUPAC5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc3ncnc(-c4ccco4)c3c2)S1
InChIInChI=1S/C16H9N3O3S/c20-15-13(23-16(21)19-15)7-9-3-4-11-10(6-9)14(18-8-17-11)12-2-1-5-22-12/h1-8H,(H,19,20,21)
InChIKeyCKLCOAZKESFTBB-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.21
Rot. Bonds2

About 5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 74430618) has the molecular formula C16H9N3O3S and a molecular weight of 323.33 g/mol. Its IUPAC name is 5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID74430618
Molecular FormulaC16H9N3O3S
Molecular Weight323.33 g/mol
Exact Mass323.04
IUPAC Name5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc3ncnc(-c4ccco4)c3c2)S1
InChIInChI=1S/C16H9N3O3S/c20-15-13(23-16(21)19-15)7-9-3-4-11-10(6-9)14(18-8-17-11)12-2-1-5-22-12/h1-8H,(H,19,20,21)
InChIKeyCKLCOAZKESFTBB-UHFFFAOYSA-N
XLogP3.21
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(4-phenylquinazolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 11616947
(5E)-5-[(4-thiophen-3-ylquinazolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 25212143
(5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 90467243
5-[[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 161181285
(5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 90465903
5-(quinazolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 141171084
(5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 23658356
(5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 5293778
(5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211751
(5Z)-5-[(3-methyl-1-benzofuran-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 10264530
(5E)-5-[[4-(1-benzothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211645
(5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87656797

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 74430618) is 5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc3ncnc(-c4ccco4)c3c2)S1.
What is the InChIKey of 5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is CKLCOAZKESFTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3O3S/c20-15-13(23-16(21)19-15)7-9-3-4-11-10(6-9)14(18-8-17-11)12-2-1-5-22-12/h1-8H,(H,19,20,21).
What are the key properties of 5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 323.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 74430618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).