N-(2-ethylhexyl)-1,3-benzothiazol-2-amine

C15H22N2S — CID 103603194

IUPACN-(2-ethylhexyl)-1,3-benzothiazol-2-amine
SMILESCCCCC(CC)CNc1nc2ccccc2s1
InChIInChI=1S/C15H22N2S/c1-3-5-8-12(4-2)11-16-15-17-13-9-6-7-10-14(13)18-15/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,16,17)
InChIKeySDFZRWGQLLBQCN-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.92
Rot. Bonds7

About N-(2-ethylhexyl)-1,3-benzothiazol-2-amine

N-(2-ethylhexyl)-1,3-benzothiazol-2-amine (PubChem CID 103603194) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1,3-benzothiazol-2-amine
PubChem CID103603194
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-(2-ethylhexyl)-1,3-benzothiazol-2-amine
SMILESCCCCC(CC)CNc1nc2ccccc2s1
InChIInChI=1S/C15H22N2S/c1-3-5-8-12(4-2)11-16-15-17-13-9-6-7-10-14(13)18-15/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,16,17)
InChIKeySDFZRWGQLLBQCN-UHFFFAOYSA-N
XLogP4.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-ethylhexan-1-amine
CID 43078478
1-(1,3-benzothiazol-2-ylamino)pentan-2-ol
CID 115622903
N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 79098958
N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 103603190
1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol
CID 113237740
N-butan-2-yl-1,3-benzothiazol-2-amine
CID 591708
N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine
CID 107816461
1-(1,3-benzothiazol-2-yl)-3-ethylheptan-2-one
CID 43125597
4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine
CID 107819014
2-[(1,3-benzothiazol-2-ylamino)methyl]-3-(4-fluorophenyl)propan-1-ol
CID 51114800
N-(2-ethylhexyl)-2-hydrazinylquinazolin-4-amine
CID 107819198
2-[2-(pyrimidin-2-ylmethyl)hexyl]-1,3-benzothiazole
CID 57032536

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-ethylhexyl)-1,3-benzothiazol-2-amine (CID 103603194) is N-(2-ethylhexyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-ethylhexyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-ethylhexyl)-1,3-benzothiazol-2-amine is CCCCC(CC)CNc1nc2ccccc2s1.
What is the InChIKey of N-(2-ethylhexyl)-1,3-benzothiazol-2-amine?
The InChIKey is SDFZRWGQLLBQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-3-5-8-12(4-2)11-16-15-17-13-9-6-7-10-14(13)18-15/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,16,17).
What are the key properties of N-(2-ethylhexyl)-1,3-benzothiazol-2-amine?
N-(2-ethylhexyl)-1,3-benzothiazol-2-amine has a molecular weight of 262.42 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 103603194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).