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

C16H15N3O3S2 — CID 59411561

IUPAC(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1nccs1
InChIInChI=1S/C16H15N3O3S2/c1-19(15-17-6-9-23-15)7-8-22-12-4-2-11(3-5-12)10-13-14(20)18-16(21)24-13/h2-6,9-10H,7-8H2,1H3,(H,18,20,21)/b13-10+
InChIKeyGRFGENPMKNLCRJ-JLHYYAGUSA-N
MW361.45 g/mol
LogP2.98
Rot. Bonds6

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

(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 59411561) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID59411561
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC Name(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1nccs1
InChIInChI=1S/C16H15N3O3S2/c1-19(15-17-6-9-23-15)7-8-22-12-4-2-11(3-5-12)10-13-14(20)18-16(21)24-13/h2-6,9-10H,7-8H2,1H3,(H,18,20,21)/b13-10+
InChIKeyGRFGENPMKNLCRJ-JLHYYAGUSA-N
XLogP2.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.98
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'}

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Related Compounds

5-{3-Ethoxy-4-[2-(4-morpholinyl)ethoxy]benzylidene}-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 5291668
(5Z)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10044126
(Z)-5-(3,4-dimethoxybenzylidene)-2-imino-3-(thiazol-2-yl)thiazolidin-4-one
CID 1416668
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46947462
2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 90643652
2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2977276
(2E)-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 824523
2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 67511668
2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 90643645
2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 90643646
(2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 135783298
(2E,5E)-5-[(4-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 135783301

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 59411561) is (5E)-5-[[4-[2-[methyl(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(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-[2-[methyl(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)c1nccs1.
What is the InChIKey of (5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GRFGENPMKNLCRJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-19(15-17-6-9-23-15)7-8-22-12-4-2-11(3-5-12)10-13-14(20)18-16(21)24-13/h2-6,9-10H,7-8H2,1H3,(H,18,20,21)/b13-10+.
What are the key properties of (5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 361.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 59411561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).