6-octan-4-yl-1,3-benzothiazol-2-amine

C15H22N2S — CID 143927852

IUPAC6-octan-4-yl-1,3-benzothiazol-2-amine
SMILESCCCCC(CCC)c1ccc2nc(N)sc2c1
InChIInChI=1S/C15H22N2S/c1-3-5-7-11(6-4-2)12-8-9-13-14(10-12)18-15(16)17-13/h8-11H,3-7H2,1-2H3,(H2,16,17)
InChIKeySUOACKCXJXAXCS-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.95
Rot. Bonds6

About 6-octan-4-yl-1,3-benzothiazol-2-amine

6-octan-4-yl-1,3-benzothiazol-2-amine (PubChem CID 143927852) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 6-octan-4-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-octan-4-yl-1,3-benzothiazol-2-amine
PubChem CID143927852
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name6-octan-4-yl-1,3-benzothiazol-2-amine
SMILESCCCCC(CCC)c1ccc2nc(N)sc2c1
InChIInChI=1S/C15H22N2S/c1-3-5-7-11(6-4-2)12-8-9-13-14(10-12)18-15(16)17-13/h8-11H,3-7H2,1-2H3,(H2,16,17)
InChIKeySUOACKCXJXAXCS-UHFFFAOYSA-N
XLogP4.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-octan-4-yl-1,3-benzothiazole
CID 170019483
2-(2-amino-1,3-benzothiazol-6-yl)butanenitrile
CID 116994176
ethyl 3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropanoate
CID 171866301
6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348987
6-[1-(4-ethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine
CID 82105164
6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348699
6-(2-ethylbutyl)-1,3-benzothiazol-2-amine
CID 118873963
5-heptan-3-yl-2-methyl-1,3-benzothiazole
CID 144683993
(3-octan-4-ylphenyl)methanamine
CID 142098371
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989
5-(2-amino-1,3-benzothiazol-6-yl)pentan-2-one
CID 116999772
2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 65349489

Frequently Asked Questions

What is the IUPAC name of 6-octan-4-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-octan-4-yl-1,3-benzothiazol-2-amine (CID 143927852) is 6-octan-4-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-octan-4-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-octan-4-yl-1,3-benzothiazol-2-amine is CCCCC(CCC)c1ccc2nc(N)sc2c1.
What is the InChIKey of 6-octan-4-yl-1,3-benzothiazol-2-amine?
The InChIKey is SUOACKCXJXAXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-3-5-7-11(6-4-2)12-8-9-13-14(10-12)18-15(16)17-13/h8-11H,3-7H2,1-2H3,(H2,16,17).
What are the key properties of 6-octan-4-yl-1,3-benzothiazol-2-amine?
6-octan-4-yl-1,3-benzothiazol-2-amine has a molecular weight of 262.42 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octan-4-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 143927852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).