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

C16H17N3O3S2 — CID 10384115

IUPAC5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nccs1
InChIInChI=1S/C16H17N3O3S2/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/h2-6,9,13H,7-8,10H2,1H3,(H,18,20,21)
InChIKeyNACAADVHQHZGOW-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.55
Rot. Bonds7

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

5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10384115) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10384115
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nccs1
InChIInChI=1S/C16H17N3O3S2/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/h2-6,9,13H,7-8,10H2,1H3,(H,18,20,21)
InChIKeyNACAADVHQHZGOW-UHFFFAOYSA-N
XLogP2.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10384115) is 5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nccs1.
What is the InChIKey of 5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is NACAADVHQHZGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/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/h2-6,9,13H,7-8,10H2,1H3,(H,18,20,21).
What are the key properties of 5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 363.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10384115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).