1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine

C15H22N2OS — CID 82189930

IUPAC1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine
SMILESCCC(N)COc1ccc2nc(CC(C)C)sc2c1
InChIInChI=1S/C15H22N2OS/c1-4-11(16)9-18-12-5-6-13-14(8-12)19-15(17-13)7-10(2)3/h5-6,8,10-11H,4,7,9,16H2,1-3H3
InChIKeyJEFJQEUYCRHYCL-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.61
Rot. Bonds6

About 1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine

1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine (PubChem CID 82189930) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine.

Molecular Properties

Compound Name1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine
PubChem CID82189930
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine
SMILESCCC(N)COc1ccc2nc(CC(C)C)sc2c1
InChIInChI=1S/C15H22N2OS/c1-4-11(16)9-18-12-5-6-13-14(8-12)19-15(17-13)7-10(2)3/h5-6,8,10-11H,4,7,9,16H2,1-3H3
InChIKeyJEFJQEUYCRHYCL-UHFFFAOYSA-N
XLogP3.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 81072937
1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol
CID 82189904
1-[4-(1,3-benzothiazol-2-ylmethyl)phenoxy]butan-2-amine
CID 71198623
2,6-bis(2-methylpropyl)-1,3-benzothiazole
CID 58138489
1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine
CID 82189771
2-methyl-6-(2-methylpropoxy)-1,3-benzothiazole
CID 58125430
1-[(2-methyl-1,3-benzothiazol-6-yl)oxy]butan-2-ol
CID 90124996
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189832
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
1-(1,3-benzothiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
CID 105169677
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-ol
CID 82189843

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine?
The IUPAC name of 1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine (CID 82189930) is 1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine.
What is the SMILES notation for 1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine?
The canonical SMILES for 1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine is CCC(N)COc1ccc2nc(CC(C)C)sc2c1.
What is the InChIKey of 1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine?
The InChIKey is JEFJQEUYCRHYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-11(16)9-18-12-5-6-13-14(8-12)19-15(17-13)7-10(2)3/h5-6,8,10-11H,4,7,9,16H2,1-3H3.
What are the key properties of 1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine?
1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine is sourced from PubChem (CID 82189930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).