N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine

C15H18N2S — CID 61309719

IUPACN-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESc1ccc2sc(CNC3CC4CCC3C4)nc2c1
InChIInChI=1S/C15H18N2S/c1-2-4-14-12(3-1)17-15(18-14)9-16-13-8-10-5-6-11(13)7-10/h1-4,10-11,13,16H,5-9H2
InChIKeyPYWVSMJHQXAZLI-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.57
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine

N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 61309719) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID61309719
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESc1ccc2sc(CNC3CC4CCC3C4)nc2c1
InChIInChI=1S/C15H18N2S/c1-2-4-14-12(3-1)17-15(18-14)9-16-13-8-10-5-6-11(13)7-10/h1-4,10-11,13,16H,5-9H2
InChIKeyPYWVSMJHQXAZLI-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-chlorocycloheptan-1-amine
CID 104632079
N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
2-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-1,3-benzothiazole
CID 66461747
2-(2-adamantylmethyl)-1,3-benzothiazole
CID 158581770
4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64724022
N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 28665108
2-[3-(2-bicyclo[2.2.1]heptanyl)-2-bromopropyl]-1,3-benzothiazole
CID 66461046
N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 61309763
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiolan-3-amine
CID 79942790
N-(1,3-benzothiazol-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79536095
(1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 98119416

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 61309719) is N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine is c1ccc2sc(CNC3CC4CCC3C4)nc2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is PYWVSMJHQXAZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-4-14-12(3-1)17-15(18-14)9-16-13-8-10-5-6-11(13)7-10/h1-4,10-11,13,16H,5-9H2.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 258.39 g/mol, XLogP of 3.57, 3 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)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61309719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).