(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione — IUPAC name, SMILES, InChIKey & properties

Name: (5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About (5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 158301057) has the molecular formula C66H59N9O11S4 and a molecular weight of 1282.52 g/mol. Its IUPAC name is (5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name	(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID	158301057
Molecular Formula	C66H59N9O11S4
Molecular Weight	1282.52 g/mol
Exact Mass	1281.32
IUPAC Name	(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILES	CN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1ncc(-c2ccccc2)o1.CN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1ncc(-c2ccccc2)s1.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ncc(-c2ccccc2)o1
InChI	InChI=1S/C22H21N3O4S.C22H19N3O4S.C22H19N3O3S2/c21-25(21-23-14-18(29-21)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-19-20(26)24-22(27)30-19;1-25(21-23-14-19(29-21)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-18-20(26)24-22(27)30-18/h2-10,14,19H,11-13H2,1H3,(H,24,26,27);22-10,13-14H,11-12H2,1H3,(H,24,26,27)/b;19-13+;18-13+
InChIKey	GMMQSSZCVDAADA-IXLWRDEKSA-N
XLogP	12.58
TPSA	240.87 Å²
H-Bond Donors	3
H-Bond Acceptors	21
Rotatable Bonds	22
Heavy Atoms	90
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1282.52
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Analyze (5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 158301057) is (5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is CN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1ncc(-c2ccccc2)o1.CN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1ncc(-c2ccccc2)s1.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ncc(-c2ccccc2)o1.

What is the InChIKey of (5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is GMMQSSZCVDAADA-IXLWRDEKSA-N. The full InChI is InChI=1S/C22H21N3O4S.C22H19N3O4S.C22H19N3O3S2/c2*1-25(21-23-14-18(29-21)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-19-20(26)24-22(27)30-19;1-25(21-23-14-19(29-21)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-18-20(26)24-22(27)30-18/h2-10,14,19H,11-13H2,1H3,(H,24,26,27);2*2-10,13-14H,11-12H2,1H3,(H,24,26,27)/b;19-13+;18-13+.

What are the key properties of (5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

Where does this data come from?

All data for (5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-oxazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158301057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).