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

C16H27N5O3S — CID 69193386

IUPAC1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCc1cc2c(nc(C)n2CCOCCCN2CCCS2(O)O)c(N)n1
InChIInChI=1S/C16H27N5O3S/c1-12-11-14-15(16(17)18-12)19-13(2)21(14)7-9-24-8-3-5-20-6-4-10-25(20,22)23/h11,22-23H,3-10H2,1-2H3,(H2,17,18)
InChIKeyNZBYAZFMEGKVEZ-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.41
Rot. Bonds7

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

1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6-dimethylimidazo[4,5-c]pyridin-4-amine (PubChem CID 69193386) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6-dimethylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6-dimethylimidazo[4,5-c]pyridin-4-amine
PubChem CID69193386
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCc1cc2c(nc(C)n2CCOCCCN2CCCS2(O)O)c(N)n1
InChIInChI=1S/C16H27N5O3S/c1-12-11-14-15(16(17)18-12)19-13(2)21(14)7-9-24-8-3-5-20-6-4-10-25(20,22)23/h11,22-23H,3-10H2,1-2H3,(H2,17,18)
InChIKeyNZBYAZFMEGKVEZ-UHFFFAOYSA-N
XLogP2.41
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine
CID 69411006
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
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
1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 69192376
1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine
CID 23450084
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
1-[3-[4-amino-1-[4-(1,1-dihydroxy-1,2-thiazolidin-2-yl)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one
CID 68968933
2-butyl-1-[4-(1,1-dihydroxy-1,2-thiazolidin-2-yl)butyl]imidazo[4,5-c]quinolin-4-amine
CID 68836017
2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499134
N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide
CID 10194141
1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 106240755
N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide
CID 69413207

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6-dimethylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6-dimethylimidazo[4,5-c]pyridin-4-amine (CID 69193386) is 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6-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]-2,6-dimethylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6-dimethylimidazo[4,5-c]pyridin-4-amine is Cc1cc2c(nc(C)n2CCOCCCN2CCCS2(O)O)c(N)n1.
What is the InChIKey of 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6-dimethylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is NZBYAZFMEGKVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-12-11-14-15(16(17)18-12)19-13(2)21(14)7-9-24-8-3-5-20-6-4-10-25(20,22)23/h11,22-23H,3-10H2,1-2H3,(H2,17,18).
What are the key properties of 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6-dimethylimidazo[4,5-c]pyridin-4-amine?
1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6-dimethylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 369.49 g/mol, XLogP of 2.41, 7 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]-2,6-dimethylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 69193386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).