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

C17H29N5O3S — CID 69411006

IUPAC1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine
SMILESCc1nc(N)c2nc(C)n(CCOCCCN3CCCS3(O)O)c2c1C
InChIInChI=1S/C17H29N5O3S/c1-12-13(2)19-17(18)15-16(12)22(14(3)20-15)8-10-25-9-4-6-21-7-5-11-26(21,23)24/h23-24H,4-11H2,1-3H3,(H2,18,19)
InChIKeyNNBOBNNBJLQQAW-UHFFFAOYSA-N
MW383.52 g/mol
LogP2.72
Rot. Bonds7

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

1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine (PubChem CID 69411006) has the molecular formula C17H29N5O3S and a molecular weight of 383.52 g/mol. Its IUPAC name is 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine
PubChem CID69411006
Molecular FormulaC17H29N5O3S
Molecular Weight383.52 g/mol
Exact Mass383.20
IUPAC Name1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine
SMILESCc1nc(N)c2nc(C)n(CCOCCCN3CCCS3(O)O)c2c1C
InChIInChI=1S/C17H29N5O3S/c1-12-13(2)19-17(18)15-16(12)22(14(3)20-15)8-10-25-9-4-6-21-7-5-11-26(21,23)24/h23-24H,4-11H2,1-3H3,(H2,18,19)
InChIKeyNNBOBNNBJLQQAW-UHFFFAOYSA-N
XLogP2.72
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine (CID 69411006) is 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6,7-trimethylimidazo[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]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine is Cc1nc(N)c2nc(C)n(CCOCCCN3CCCS3(O)O)c2c1C.
What is the InChIKey of 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is NNBOBNNBJLQQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3S/c1-12-13(2)19-17(18)15-16(12)22(14(3)20-15)8-10-25-9-4-6-21-7-5-11-26(21,23)24/h23-24H,4-11H2,1-3H3,(H2,18,19).
What are the key properties of 1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine?
1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 383.52 g/mol, XLogP of 2.72, 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]-2,6,7-trimethylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 69411006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).