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

C22H15N3O3S2 — CID 25211544

IUPAC(5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1noc(C)c1-c1ccc(-c2ccnc3ccc(/C=C4/SC(=O)NC4=O)cc23)s1
InChIInChI=1S/C22H15N3O3S2/c1-11-20(12(2)28-25-11)18-6-5-17(29-18)14-7-8-23-16-4-3-13(9-15(14)16)10-19-21(26)24-22(27)30-19/h3-10H,1-2H3,(H,24,26,27)/b19-10+
InChIKeyZOBGSZRVUYKANO-VXLYETTFSA-N
MW433.51 g/mol
LogP5.56
Rot. Bonds3

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

(5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 25211544) has the molecular formula C22H15N3O3S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is (5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID25211544
Molecular FormulaC22H15N3O3S2
Molecular Weight433.51 g/mol
Exact Mass433.06
IUPAC Name(5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1noc(C)c1-c1ccc(-c2ccnc3ccc(/C=C4/SC(=O)NC4=O)cc23)s1
InChIInChI=1S/C22H15N3O3S2/c1-11-20(12(2)28-25-11)18-6-5-17(29-18)14-7-8-23-16-4-3-13(9-15(14)16)10-19-21(26)24-22(27)30-19/h3-10H,1-2H3,(H,24,26,27)/b19-10+
InChIKeyZOBGSZRVUYKANO-VXLYETTFSA-N
XLogP5.56
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 25211544) is (5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1noc(C)c1-c1ccc(-c2ccnc3ccc(/C=C4/SC(=O)NC4=O)cc23)s1.
What is the InChIKey of (5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZOBGSZRVUYKANO-VXLYETTFSA-N. The full InChI is InChI=1S/C22H15N3O3S2/c1-11-20(12(2)28-25-11)18-6-5-17(29-18)14-7-8-23-16-4-3-13(9-15(14)16)10-19-21(26)24-22(27)30-19/h3-10H,1-2H3,(H,24,26,27)/b19-10+.
What are the key properties of (5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 433.51 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 25211544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).