N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine

C14H15BrN2S — CID 79528609

IUPACN-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine
SMILESBrc1ccc2nc(NC3CC4CCC3C4)sc2c1
InChIInChI=1S/C14H15BrN2S/c15-10-3-4-11-13(7-10)18-14(16-11)17-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H,16,17)
InChIKeyLJMYGKYIHOCXFW-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.66
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine (PubChem CID 79528609) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine
PubChem CID79528609
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine
SMILESBrc1ccc2nc(NC3CC4CCC3C4)sc2c1
InChIInChI=1S/C14H15BrN2S/c15-10-3-4-11-13(7-10)18-14(16-11)17-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H,16,17)
InChIKeyLJMYGKYIHOCXFW-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,4S)-N-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7117228
(1R,2R,4R)-N-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6974886
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine
CID 79524987
6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528174
6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine
CID 107853185
6-bromo-N-(1,1-dioxothiolan-3-yl)-1,3-benzothiazol-2-amine
CID 79534163
N-(6-bromo-1,3-benzothiazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 79528606
6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine
CID 79527741
6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine
CID 53379786
2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol
CID 90793029
6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine
CID 83017969

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine (CID 79528609) is N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine is Brc1ccc2nc(NC3CC4CCC3C4)sc2c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine?
The InChIKey is LJMYGKYIHOCXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c15-10-3-4-11-13(7-10)18-14(16-11)17-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H,16,17).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine has a molecular weight of 323.26 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79528609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).