N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide

C15H16BrN3OS — CID 69225502

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1nsc2c(Br)cccc12
InChIInChI=1S/C15H16BrN3OS/c16-11-3-1-2-10-13(18-21-14(10)11)15(20)17-12-8-19-6-4-9(12)5-7-19/h1-3,9,12H,4-8H2,(H,17,20)/t12-/m0/s1
InChIKeyUKBAQPXNSFOMIX-LBPRGKRZSA-N
MW366.28 g/mol
LogP2.88
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide (PubChem CID 69225502) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide
PubChem CID69225502
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1nsc2c(Br)cccc12
InChIInChI=1S/C15H16BrN3OS/c16-11-3-1-2-10-13(18-21-14(10)11)15(20)17-12-8-19-6-4-9(12)5-7-19/h1-3,9,12H,4-8H2,(H,17,20)/t12-/m0/s1
InChIKeyUKBAQPXNSFOMIX-LBPRGKRZSA-N
XLogP2.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide with MolForge

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Related Compounds

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(3R)-3-methoxypyrrolidin-1-yl]-1,2-benzothiazole-3-carboxamide
CID 58852159
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-phenyl-1,2-benzothiazole-3-carboxamide;formic acid
CID 157486083
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(trifluoromethoxy)-1,2-benzothiazole-3-carboxamide
CID 11595855
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
CID 66636210
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2-benzothiazole-3-carboxamide
CID 58852167
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1,2-benzothiazole-3-carboxamide
CID 10047635
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-thiophen-2-yl-1,2-benzothiazole-3-carboxamide;formic acid
CID 11742591
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5,6-dimethoxy-1,2-benzothiazole-3-carboxamide;formic acid
CID 161335303
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 16659708
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride
CID 23036705
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-bromophenyl)-1,3-thiazole-5-carboxamide
CID 70026256

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide (CID 69225502) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1nsc2c(Br)cccc12.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide?
The InChIKey is UKBAQPXNSFOMIX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16BrN3OS/c16-11-3-1-2-10-13(18-21-14(10)11)15(20)17-12-8-19-6-4-9(12)5-7-19/h1-3,9,12H,4-8H2,(H,17,20)/t12-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide has a molecular weight of 366.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-bromo-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 69225502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).