6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride

C17H22ClN3O2S — CID 69371819

IUPAC6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(C(=O)NC3CC4CCC(C3)N4C)snc2c1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-20-11-3-4-12(20)8-10(7-11)18-17(21)16-14-6-5-13(22-2)9-15(14)19-23-16;/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,21);1H
InChIKeyNHHSAIGUROMHSM-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.08
Rot. Bonds3

About 6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride

6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride (PubChem CID 69371819) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride
PubChem CID69371819
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(C(=O)NC3CC4CCC(C3)N4C)snc2c1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-20-11-3-4-12(20)8-10(7-11)18-17(21)16-14-6-5-13(22-2)9-15(14)19-23-16;/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,21);1H
InChIKeyNHHSAIGUROMHSM-UHFFFAOYSA-N
XLogP3.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride?
The IUPAC name of 6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride (CID 69371819) is 6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride?
The canonical SMILES for 6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride is COc1ccc2c(C(=O)NC3CC4CCC(C3)N4C)snc2c1.Cl.
What is the InChIKey of 6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride?
The InChIKey is NHHSAIGUROMHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.ClH/c1-20-11-3-4-12(20)8-10(7-11)18-17(21)16-14-6-5-13(22-2)9-15(14)19-23-16;/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,21);1H.
What are the key properties of 6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride?
6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,1-benzothiazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 69371819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).