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

C18H31N5O3S — CID 69193328

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

1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-ethyl-6,7-dimethylimidazo[4,5-c]pyridin-4-amine (PubChem CID 69193328) has the molecular formula C18H31N5O3S and a molecular weight of 397.55 g/mol. Its IUPAC name is 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-ethyl-6,7-dimethylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

• Compound Name: 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-ethyl-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
• PubChem CID: 69193328
• Molecular Formula: C18H31N5O3S
• Molecular Weight: 397.55 g/mol
• Exact Mass: 397.21
• IUPAC Name: 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-ethyl-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
• SMILES: CCc1nc2c(N)nc(C)c(C)c2n1CCOCCCN1CCCS1(O)O
• InChI: InChI=1S/C18H31N5O3S/c1-4-15-21-16-17(13(2)14(3)20-18(16)19)23(15)9-11-26-10-5-7-22-8-6-12-27(22,24)25/h24-25H,4-12H2,1-3H3,(H2,19,20)
• InChIKey: XDQNVALDKVLTQN-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 109.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.55
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	3
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-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-ethyl-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?

The IUPAC name of 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-ethyl-6,7-dimethylimidazo[4,5-c]pyridin-4-amine (CID 69193328) is 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-ethyl-6,7-dimethylimidazo[4,5-c]pyridin-4-amine.

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

The canonical SMILES for 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-ethyl-6,7-dimethylimidazo[4,5-c]pyridin-4-amine is CCc1nc2c(N)nc(C)c(C)c2n1CCOCCCN1CCCS1(O)O.

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

The InChIKey is XDQNVALDKVLTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3S/c1-4-15-21-16-17(13(2)14(3)20-18(16)19)23(15)9-11-26-10-5-7-22-8-6-12-27(22,24)25/h24-25H,4-12H2,1-3H3,(H2,19,20).

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

1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-ethyl-6,7-dimethylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 397.55 g/mol, XLogP of 2.97, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-ethyl-6,7-dimethylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 69193328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).