[1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine

C13H17N3S — CID 71644884

IUPAC[1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C13H17N3S/c14-9-10-5-7-16(8-6-10)13-11-3-1-2-4-12(11)17-15-13/h1-4,10H,5-9,14H2
InChIKeyLGYHGEXZZLBTEE-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.47
Rot. Bonds2

About [1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine

[1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine (PubChem CID 71644884) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is [1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine
PubChem CID71644884
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name[1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C13H17N3S/c14-9-10-5-7-16(8-6-10)13-11-3-1-2-4-12(11)17-15-13/h1-4,10H,5-9,14H2
InChIKeyLGYHGEXZZLBTEE-UHFFFAOYSA-N
XLogP2.47
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanamine
CID 97165642
[1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644812
[(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanol
CID 97169710
(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride
CID 71643811
1-(1,2-benzothiazol-3-yl)piperidin-4-ol
CID 66570294
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethanamine
CID 66801585
[1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol
CID 71650110
3-piperazin-4-ium-1-yl-1,2-benzothiazole
CID 7020932
[1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride
CID 71644476
6-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]spiro[3.3]heptan-2-amine;hydrochloride
CID 154663086
ethyl 4-[2-[1-(1,2-benzothiazol-3-yl)piperidin-4-yl]ethoxy]benzoate
CID 67836658

Frequently Asked Questions

What is the IUPAC name of [1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine (CID 71644884) is [1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine is NCC1CCN(c2nsc3ccccc23)CC1.
What is the InChIKey of [1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine?
The InChIKey is LGYHGEXZZLBTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c14-9-10-5-7-16(8-6-10)13-11-3-1-2-4-12(11)17-15-13/h1-4,10H,5-9,14H2.
What are the key properties of [1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine?
[1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine has a molecular weight of 247.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 71644884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).