1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine

C19H31N5O4S — CID 69192375

About 1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine

1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine (PubChem CID 69192375) has the molecular formula C19H31N5O4S and a molecular weight of 425.56 g/mol. Its IUPAC name is 1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

• Compound Name: 1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
• PubChem CID: 69192375
• Molecular Formula: C19H31N5O4S
• Molecular Weight: 425.56 g/mol
• Exact Mass: 425.21
• IUPAC Name: 1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
• SMILES: COCCc1nc2c(N)nc(C)c(C)c2n1CCOCCCN1CCCS1(=O)=O
• InChI: InChI=1S/C19H31N5O4S/c1-14-15(2)21-19(20)17-18(14)24(16(22-17)6-11-27-3)9-12-28-10-4-7-23-8-5-13-29(23,25)26/h4-13H2,1-3H3,(H2,20,21)
• InChIKey: VNQKSDKYTKWUJI-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 112.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.56
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?

The IUPAC name of 1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine (CID 69192375) is 1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine.

What is the SMILES notation for 1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?

The canonical SMILES for 1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine is COCCc1nc2c(N)nc(C)c(C)c2n1CCOCCCN1CCCS1(=O)=O.

What is the InChIKey of 1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?

The InChIKey is VNQKSDKYTKWUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O4S/c1-14-15(2)21-19(20)17-18(14)24(16(22-17)6-11-27-3)9-12-28-10-4-7-23-8-5-13-29(23,25)26/h4-13H2,1-3H3,(H2,20,21).

What are the key properties of 1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?

1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 425.56 g/mol, XLogP of 1.26, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 69192375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).