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

C15H21N3S — CID 28665108

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCc2nc3ccccc3s2)CC1
InChIInChI=1S/C15H21N3S/c1-2-18-9-7-12(8-10-18)16-11-15-17-13-5-3-4-6-14(13)19-15/h3-6,12,16H,2,7-11H2,1H3
InChIKeyXHLWLSVQHYKHKF-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.87
Rot. Bonds4

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

N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine (PubChem CID 28665108) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine
PubChem CID28665108
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCc2nc3ccccc3s2)CC1
InChIInChI=1S/C15H21N3S/c1-2-18-9-7-12(8-10-18)16-11-15-17-13-5-3-4-6-14(13)19-15/h3-6,12,16H,2,7-11H2,1H3
InChIKeyXHLWLSVQHYKHKF-UHFFFAOYSA-N
XLogP2.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751
N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine
CID 65082467
N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64724022
N-(1,3-benzothiazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80692058
5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one
CID 64656359
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiolan-3-amine
CID 79942790
(6R)-N-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95323884
N-[[2-(1,3-benzothiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 79825698
N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 61309719
2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole
CID 22989637
N-(1,3-benzothiazol-2-ylmethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 43080809

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine (CID 28665108) is N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine is CCN1CCC(NCc2nc3ccccc3s2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine?
The InChIKey is XHLWLSVQHYKHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-18-9-7-12(8-10-18)16-11-15-17-13-5-3-4-6-14(13)19-15/h3-6,12,16H,2,7-11H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine?
N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine is sourced from PubChem (CID 28665108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).