5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C18H18ClN3O3S — CID 10249916

IUPAC5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ncccc1Cl
InChIInChI=1S/C18H18ClN3O3S/c1-22(16-14(19)3-2-8-20-16)9-10-25-13-6-4-12(5-7-13)11-15-17(23)21-18(24)26-15/h2-8,15H,9-11H2,1H3,(H,21,23,24)
InChIKeyKDCZTKXILGUIHT-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.14
Rot. Bonds7

About 5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10249916) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10249916
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ncccc1Cl
InChIInChI=1S/C18H18ClN3O3S/c1-22(16-14(19)3-2-8-20-16)9-10-25-13-6-4-12(5-7-13)11-15-17(23)21-18(24)26-15/h2-8,15H,9-11H2,1H3,(H,21,23,24)
InChIKeyKDCZTKXILGUIHT-UHFFFAOYSA-N
XLogP3.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

Rosiglitazone
CID 77999
Rosiglitazone Maleate
CID 5281055
(+)-Rosiglitazone
CID 10021239
Didehydro rosiglitazone, (5Z)-
CID 10119132
N-Desmethyl Rosiglitazone
CID 12000328
(-)-Rosiglitazone
CID 445655
[3H]rosiglitazone
CID 53805115
Rosiglitazone hydrochloride
CID 9865387
5-{4-(6-Chloro-3-methylimidazo[5,4-b]pyridin-2-ylmethoxy)benzyl}thiazolidine-2,4-dione
CID 9952977
5-(4-{3-(4-Chlorobenzyl)imidazo[5,4-b]pyridin-2-yl-methoxy}benzyl)thiazolidine-2,4-dione
CID 10696037
2-[7-(4-Chloro-phenoxy)-heptylsulfanyl]-5-pyridin-3-ylmethyl-1H-pyrimidin-4-one
CID 18470494
5-[[4-[2-[Ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 59411513

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10249916) is 5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ncccc1Cl.
What is the InChIKey of 5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is KDCZTKXILGUIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-22(16-14(19)3-2-8-20-16)9-10-25-13-6-4-12(5-7-13)11-15-17(23)21-18(24)26-15/h2-8,15H,9-11H2,1H3,(H,21,23,24).
What are the key properties of 5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 391.88 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10249916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).