N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride

C15H18ClN3OS — CID 66636410

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1CN2CCC1CC2)c1ccc2scnc2c1
InChIInChI=1S/C15H17N3OS.ClH/c19-15(11-1-2-14-12(7-11)16-9-20-14)17-13-8-18-5-3-10(13)4-6-18;/h1-2,7,9-10,13H,3-6,8H2,(H,17,19);1H
InChIKeyNEIJVVPXACLXAE-UHFFFAOYSA-N
MW323.85 g/mol
LogP2.54
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride

N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride (PubChem CID 66636410) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride
PubChem CID66636410
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1CN2CCC1CC2)c1ccc2scnc2c1
InChIInChI=1S/C15H17N3OS.ClH/c19-15(11-1-2-14-12(7-11)16-9-20-14)17-13-8-18-5-3-10(13)4-6-18;/h1-2,7,9-10,13H,3-6,8H2,(H,17,19);1H
InChIKeyNEIJVVPXACLXAE-UHFFFAOYSA-N
XLogP2.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
CID 12985341
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromopyridine-3-carboxamide
CID 66464440
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzothiophene-5-carboxamide
CID 23529193
N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide
CID 142009418
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-bromo-4-methylbenzamide
CID 81472016
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide
CID 58932940
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 59797488
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylbenzamide
CID 16793700
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-iodobenzamide
CID 58932943

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride (CID 66636410) is N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride is Cl.O=C(NC1CN2CCC1CC2)c1ccc2scnc2c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride?
The InChIKey is NEIJVVPXACLXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS.ClH/c19-15(11-1-2-14-12(7-11)16-9-20-14)17-13-8-18-5-3-10(13)4-6-18;/h1-2,7,9-10,13H,3-6,8H2,(H,17,19);1H.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride?
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride has a molecular weight of 323.85 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 66636410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).