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

C19H33N5O4S — CID 69192555

IUPAC1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCCOCc1nc2c(N)nc(C)c(C)c2n1CCOCCCN1CCCS1(O)O
InChIInChI=1S/C19H33N5O4S/c1-4-27-13-16-22-17-18(14(2)15(3)21-19(17)20)24(16)9-11-28-10-5-7-23-8-6-12-29(23,25)26/h25-26H,4-13H2,1-3H3,(H2,20,21)
InChIKeyFFPGONQVJZYUJO-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.94
Rot. Bonds10

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

1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine (PubChem CID 69192555) has the molecular formula C19H33N5O4S and a molecular weight of 427.57 g/mol. Its IUPAC name is 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
PubChem CID69192555
Molecular FormulaC19H33N5O4S
Molecular Weight427.57 g/mol
Exact Mass427.23
IUPAC Name1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCCOCc1nc2c(N)nc(C)c(C)c2n1CCOCCCN1CCCS1(O)O
InChIInChI=1S/C19H33N5O4S/c1-4-27-13-16-22-17-18(14(2)15(3)21-19(17)20)24(16)9-11-28-10-5-7-23-8-6-12-29(23,25)26/h25-26H,4-13H2,1-3H3,(H2,20,21)
InChIKeyFFPGONQVJZYUJO-UHFFFAOYSA-N
XLogP2.94
TPSA118.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(ethoxymethyl)-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-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine (CID 69192555) is 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(ethoxymethyl)-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-(ethoxymethyl)-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-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine is CCOCc1nc2c(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-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is FFPGONQVJZYUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O4S/c1-4-27-13-16-22-17-18(14(2)15(3)21-19(17)20)24(16)9-11-28-10-5-7-23-8-6-12-29(23,25)26/h25-26H,4-13H2,1-3H3,(H2,20,21).
What are the key properties of 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 427.57 g/mol, XLogP of 2.94, 10 rotatable bonds, 3 hydrogen bond donors, and 9 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-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 69192555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).