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

C17H22N2OS — CID 79516240

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC(C)C3CC4CCC3C4)sc2c1
InChIInChI=1S/C17H22N2OS/c1-10(14-8-11-3-4-12(14)7-11)18-17-19-15-6-5-13(20-2)9-16(15)21-17/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyMTODFJYTPCJDSW-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.54
Rot. Bonds4

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 79516240) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID79516240
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC(C)C3CC4CCC3C4)sc2c1
InChIInChI=1S/C17H22N2OS/c1-10(14-8-11-3-4-12(14)7-11)18-17-19-15-6-5-13(20-2)9-16(15)21-17/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyMTODFJYTPCJDSW-UHFFFAOYSA-N
XLogP4.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine
CID 21003164
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 71628391
N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518457
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methoxybenzamide
CID 98233696
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine
CID 79518605
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 43508713
N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79516719
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79513905

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine (CID 79516240) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(NC(C)C3CC4CCC3C4)sc2c1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is MTODFJYTPCJDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-10(14-8-11-3-4-12(14)7-11)18-17-19-15-6-5-13(20-2)9-16(15)21-17/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 302.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79516240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).