N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine

C15H22N2S — CID 29275051

IUPACN-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine
SMILESCCCC(CCC)NCc1nc2ccccc2s1
InChIInChI=1S/C15H22N2S/c1-3-7-12(8-4-2)16-11-15-17-13-9-5-6-10-14(13)18-15/h5-6,9-10,12,16H,3-4,7-8,11H2,1-2H3
InChIKeyWQKMRNWUAYIYIZ-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.35
Rot. Bonds7

About N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine

N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine (PubChem CID 29275051) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine
PubChem CID29275051
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine
SMILESCCCC(CCC)NCc1nc2ccccc2s1
InChIInChI=1S/C15H22N2S/c1-3-7-12(8-4-2)16-11-15-17-13-9-5-6-10-14(13)18-15/h5-6,9-10,12,16H,3-4,7-8,11H2,1-2H3
InChIKeyWQKMRNWUAYIYIZ-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)hex-1-yn-3-amine
CID 106230034
N-(1,3-benzothiazol-2-ylmethyl)-3-methylpentan-2-amine
CID 43204584
N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43226409
2-(1,3-benzothiazol-2-ylmethylamino)-3-phenylpropan-1-ol
CID 63261117
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-hydroxypentyl)urea
CID 111337738
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
2-(2-chloropentyl)-1,3-benzothiazole
CID 63203228
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43109519
(1R)-N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 28665251
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine
CID 62632788
N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)propan-1-amine
CID 43078244
1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
CID 105245702

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine (CID 29275051) is N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine is CCCC(CCC)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine?
The InChIKey is WQKMRNWUAYIYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-3-7-12(8-4-2)16-11-15-17-13-9-5-6-10-14(13)18-15/h5-6,9-10,12,16H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine?
N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine has a molecular weight of 262.42 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine is sourced from PubChem (CID 29275051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).