5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol

C17H16N4OS — CID 136867470

IUPAC5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol
SMILESCc1ccc2c(c1)c(/N=N/c1ccccn1)c(O)n2C1CSC1
InChIInChI=1S/C17H16N4OS/c1-11-5-6-14-13(8-11)16(17(22)21(14)12-9-23-10-12)20-19-15-4-2-3-7-18-15/h2-8,12,22H,9-10H2,1H3/b20-19+
InChIKeyAHZRLRZUQOVSSI-FMQUCBEESA-N
MW324.41 g/mol
LogP4.75
Rot. Bonds3

About 5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol

5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol (PubChem CID 136867470) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol.

Molecular Properties

Compound Name5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol
PubChem CID136867470
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol
SMILESCc1ccc2c(c1)c(/N=N/c1ccccn1)c(O)n2C1CSC1
InChIInChI=1S/C17H16N4OS/c1-11-5-6-14-13(8-11)16(17(22)21(14)12-9-23-10-12)20-19-15-4-2-3-7-18-15/h2-8,12,22H,9-10H2,1H3/b20-19+
InChIKeyAHZRLRZUQOVSSI-FMQUCBEESA-N
XLogP4.75
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol?
The IUPAC name of 5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol (CID 136867470) is 5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol.
What is the SMILES notation for 5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol?
The canonical SMILES for 5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol is Cc1ccc2c(c1)c(/N=N/c1ccccn1)c(O)n2C1CSC1.
What is the InChIKey of 5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol?
The InChIKey is AHZRLRZUQOVSSI-FMQUCBEESA-N. The full InChI is InChI=1S/C17H16N4OS/c1-11-5-6-14-13(8-11)16(17(22)21(14)12-9-23-10-12)20-19-15-4-2-3-7-18-15/h2-8,12,22H,9-10H2,1H3/b20-19+.
What are the key properties of 5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol?
5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol has a molecular weight of 324.41 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(pyridin-2-yldiazenyl)-1-(thietan-3-yl)indol-2-ol is sourced from PubChem (CID 136867470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).