2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride

C16H20ClN3OS — CID 119734492

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccc2ncsc2c1
InChIInChI=1S/C16H19N3OS.ClH/c20-16(7-10-5-11-1-2-12(6-10)18-11)19-13-3-4-14-15(8-13)21-9-17-14;/h3-4,8-12,18H,1-2,5-7H2,(H,19,20);1H
InChIKeySSIGDHPYGGVTCO-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.58
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride (PubChem CID 119734492) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride
PubChem CID119734492
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccc2ncsc2c1
InChIInChI=1S/C16H19N3OS.ClH/c20-16(7-10-5-11-1-2-12(6-10)18-11)19-13-3-4-14-15(8-13)21-9-17-14;/h3-4,8-12,18H,1-2,5-7H2,(H,19,20);1H
InChIKeySSIGDHPYGGVTCO-UHFFFAOYSA-N
XLogP3.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 119839197
N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide
CID 107805145
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride
CID 119773143
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 119686460
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119668960
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide;hydrochloride
CID 119709216
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
CID 119773144
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-pyridin-4-yloxyphenyl)acetamide;dihydrochloride
CID 119867854

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride (CID 119734492) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccc2ncsc2c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride?
The InChIKey is SSIGDHPYGGVTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS.ClH/c20-16(7-10-5-11-1-2-12(6-10)18-11)19-13-3-4-14-15(8-13)21-9-17-14;/h3-4,8-12,18H,1-2,5-7H2,(H,19,20);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride has a molecular weight of 337.88 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride is sourced from PubChem (CID 119734492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).