6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde

C16H10N2O2S — CID 59577683

IUPAC6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2ccc(Oc3nc4ccccc4s3)cc2[nH]1
InChIInChI=1S/C16H10N2O2S/c19-9-11-7-10-5-6-12(8-14(10)17-11)20-16-18-13-3-1-2-4-15(13)21-16/h1-9,17H
InChIKeySPXROLLNDLPZKW-UHFFFAOYSA-N
MW294.34 g/mol
LogP4.38
Rot. Bonds3

About 6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde

6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde (PubChem CID 59577683) has the molecular formula C16H10N2O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde
PubChem CID59577683
Molecular FormulaC16H10N2O2S
Molecular Weight294.34 g/mol
Exact Mass294.05
IUPAC Name6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2ccc(Oc3nc4ccccc4s3)cc2[nH]1
InChIInChI=1S/C16H10N2O2S/c19-9-11-7-10-5-6-12(8-14(10)17-11)20-16-18-13-3-1-2-4-15(13)21-16/h1-9,17H
InChIKeySPXROLLNDLPZKW-UHFFFAOYSA-N
XLogP4.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-1,3-benzothiazole
CID 11837172
[4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine
CID 102724687
methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate
CID 68772342
1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine
CID 69154883
4-[5-(1,3-benzothiazol-2-yloxy)-2-ethylphenyl]tricyclo[5.2.2.02,6]undecane-3,5-dione
CID 91295041
2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]-1,3-benzothiazole
CID 70897480
methyl 3-[4-(1,3-benzothiazol-2-yloxy)phenoxy]propanoate
CID 57116230
4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine
CID 154645733
N,N'-diamino-4-(1,3-benzothiazol-2-yloxy)benzenecarboximidamide
CID 163704257
bis(1,3-benzothiazol-2-yl) (E)-but-2-enedioate
CID 174377758
4-(1,3-benzothiazol-2-yloxy)cyclohexan-1-one
CID 138676550
6-(1,3-benzothiazol-2-yloxy)-3-phenyl-1H-1,3,5-triazine-2,4-dione
CID 67884073

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde?
The IUPAC name of 6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde (CID 59577683) is 6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde.
What is the SMILES notation for 6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde?
The canonical SMILES for 6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde is O=Cc1cc2ccc(Oc3nc4ccccc4s3)cc2[nH]1.
What is the InChIKey of 6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde?
The InChIKey is SPXROLLNDLPZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S/c19-9-11-7-10-5-6-12(8-14(10)17-11)20-16-18-13-3-1-2-4-15(13)21-16/h1-9,17H.
What are the key properties of 6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde?
6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde has a molecular weight of 294.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde is sourced from PubChem (CID 59577683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).