3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol

C16H12N4OS — CID 135775140

IUPAC3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol
SMILESCc1cccc2c(/N=N/c3nc4ccccc4s3)c(O)[nH]c12
InChIInChI=1S/C16H12N4OS/c1-9-5-4-6-10-13(9)18-15(21)14(10)19-20-16-17-11-7-2-3-8-12(11)22-16/h2-8,18,21H,1H3/b20-19+
InChIKeyDXEWTOWKDJPBIR-FMQUCBEESA-N
MW308.37 g/mol
LogP5.21
Rot. Bonds2

About 3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol

3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol (PubChem CID 135775140) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol
PubChem CID135775140
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol
SMILESCc1cccc2c(/N=N/c3nc4ccccc4s3)c(O)[nH]c12
InChIInChI=1S/C16H12N4OS/c1-9-5-4-6-10-13(9)18-15(21)14(10)19-20-16-17-11-7-2-3-8-12(11)22-16/h2-8,18,21H,1H3/b20-19+
InChIKeyDXEWTOWKDJPBIR-FMQUCBEESA-N
XLogP5.21
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.37
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-benzothiazol-2-yldiazenyl)-5-methyl-1H-indol-2-ol
CID 3564277
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]propanamide
CID 135811971
4-(1,3-benzothiazol-2-yldiazenyl)-2-methylnaphthalene-1,3-diol
CID 135436607
3-(1,3-benzothiazol-2-yldiazenyl)-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867779
3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867577
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 788839
(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea
CID 788841
3-(1,3-benzothiazol-2-yldiazenyl)-1-benzylindol-2-ol
CID 3696181
4-(1,3-benzothiazol-2-yldiazenyl)-2,3-dichloro-5-methoxyphenol
CID 137184565
ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate
CID 2692659
5-(1,3-benzothiazol-2-yldiazenyl)-6-hydroxynaphthalene-2-sulfonic acid
CID 171384167
bis(4-methyl-1,3-benzothiazol-2-yl)diazene
CID 154148255

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol?
The IUPAC name of 3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol (CID 135775140) is 3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol?
The canonical SMILES for 3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol is Cc1cccc2c(/N=N/c3nc4ccccc4s3)c(O)[nH]c12.
What is the InChIKey of 3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol?
The InChIKey is DXEWTOWKDJPBIR-FMQUCBEESA-N. The full InChI is InChI=1S/C16H12N4OS/c1-9-5-4-6-10-13(9)18-15(21)14(10)19-20-16-17-11-7-2-3-8-12(11)22-16/h2-8,18,21H,1H3/b20-19+.
What are the key properties of 3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol?
3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol has a molecular weight of 308.37 g/mol, XLogP of 5.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol is sourced from PubChem (CID 135775140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).