6-(2-ethylbutyl)-1,3-benzothiazol-2-amine

C13H18N2S — CID 118873963

IUPAC6-(2-ethylbutyl)-1,3-benzothiazol-2-amine
SMILESCCC(CC)Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C13H18N2S/c1-3-9(4-2)7-10-5-6-11-12(8-10)16-13(14)15-11/h5-6,8-9H,3-4,7H2,1-2H3,(H2,14,15)
InChIKeyCFWLTRPHGBHBFR-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.86
Rot. Bonds4

About 6-(2-ethylbutyl)-1,3-benzothiazol-2-amine

6-(2-ethylbutyl)-1,3-benzothiazol-2-amine (PubChem CID 118873963) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 6-(2-ethylbutyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2-ethylbutyl)-1,3-benzothiazol-2-amine
PubChem CID118873963
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name6-(2-ethylbutyl)-1,3-benzothiazol-2-amine
SMILESCCC(CC)Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C13H18N2S/c1-3-9(4-2)7-10-5-6-11-12(8-10)16-13(14)15-11/h5-6,8-9H,3-4,7H2,1-2H3,(H2,14,15)
InChIKeyCFWLTRPHGBHBFR-UHFFFAOYSA-N
XLogP3.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989
2-[(2-amino-1,3-benzothiazol-6-yl)methyl]butanoic acid
CID 116999798
6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
CID 65348658
6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine
CID 116999742
6-[(dipropylamino)methyl]-1,3-benzothiazol-2-amine
CID 65348790
6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348987
6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348426
6-[(5-methylhexylamino)methyl]-1,3-benzothiazol-2-amine
CID 115325959
2-(2-amino-1,3-benzothiazol-6-yl)butanenitrile
CID 116994176
6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 102913455
6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348699
6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine
CID 106012038

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylbutyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(2-ethylbutyl)-1,3-benzothiazol-2-amine (CID 118873963) is 6-(2-ethylbutyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(2-ethylbutyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(2-ethylbutyl)-1,3-benzothiazol-2-amine is CCC(CC)Cc1ccc2nc(N)sc2c1.
What is the InChIKey of 6-(2-ethylbutyl)-1,3-benzothiazol-2-amine?
The InChIKey is CFWLTRPHGBHBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-3-9(4-2)7-10-5-6-11-12(8-10)16-13(14)15-11/h5-6,8-9H,3-4,7H2,1-2H3,(H2,14,15).
What are the key properties of 6-(2-ethylbutyl)-1,3-benzothiazol-2-amine?
6-(2-ethylbutyl)-1,3-benzothiazol-2-amine has a molecular weight of 234.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylbutyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 118873963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).