2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine

C15H19N3S — CID 82747618

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(N3CCC4CCCCC43)sc2c1
InChIInChI=1S/C15H19N3S/c16-11-5-6-12-14(9-11)19-15(17-12)18-8-7-10-3-1-2-4-13(10)18/h5-6,9-10,13H,1-4,7-8,16H2
InChIKeyLUERYXUUDQOKLS-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.65
Rot. Bonds1

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine (PubChem CID 82747618) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine
PubChem CID82747618
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(N3CCC4CCCCC43)sc2c1
InChIInChI=1S/C15H19N3S/c16-11-5-6-12-14(9-11)19-15(17-12)18-8-7-10-3-1-2-4-13(10)18/h5-6,9-10,13H,1-4,7-8,16H2
InChIKeyLUERYXUUDQOKLS-UHFFFAOYSA-N
XLogP3.65
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine with MolForge

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Related Compounds

2-(2-ethylazepan-1-yl)-1,3-benzothiazol-6-amine
CID 104688859
2-(2-propylpiperidin-1-yl)-1,3-benzothiazol-6-amine
CID 83053118
2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol
CID 63231116
1-(6-amino-1,3-benzothiazol-2-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194538
8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63763286
2-(2-pyridin-3-ylpyrrolidin-1-yl)-1,3-benzothiazol-6-amine
CID 63231246
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine
CID 43628015
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine
CID 102768884
1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 63231156
2-(2,5-dimethylmorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 63230921
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-bromoaniline
CID 82746353
2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 66382584

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine (CID 82747618) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine is Nc1ccc2nc(N3CCC4CCCCC43)sc2c1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine?
The InChIKey is LUERYXUUDQOKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c16-11-5-6-12-14(9-11)19-15(17-12)18-8-7-10-3-1-2-4-13(10)18/h5-6,9-10,13H,1-4,7-8,16H2.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine has a molecular weight of 273.40 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 82747618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).