N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide

C18H21N3OS2 — CID 22573621

IUPACN-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide
SMILESO=C(NC1CC2CCN(CC2)C1)c1ccc(Sc2cncs2)cc1
InChIInChI=1S/C18H21N3OS2/c22-18(20-15-9-13-5-7-21(11-15)8-6-13)14-1-3-16(4-2-14)24-17-10-19-12-23-17/h1-4,10,12-13,15H,5-9,11H2,(H,20,22)
InChIKeyYWDSLOAMLKAKTA-UHFFFAOYSA-N
MW359.52 g/mol
LogP3.51
Rot. Bonds4

About N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide

N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide (PubChem CID 22573621) has the molecular formula C18H21N3OS2 and a molecular weight of 359.52 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide
PubChem CID22573621
Molecular FormulaC18H21N3OS2
Molecular Weight359.52 g/mol
Exact Mass359.11
IUPAC NameN-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide
SMILESO=C(NC1CC2CCN(CC2)C1)c1ccc(Sc2cncs2)cc1
InChIInChI=1S/C18H21N3OS2/c22-18(20-15-9-13-5-7-21(11-15)8-6-13)14-1-3-16(4-2-14)24-17-10-19-12-23-17/h1-4,10,12-13,15H,5-9,11H2,(H,20,22)
InChIKeyYWDSLOAMLKAKTA-UHFFFAOYSA-N
XLogP3.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-aminophenyl)sulfanyl-N-(1-azabicyclo[3.2.2]nonan-3-yl)benzamide
CID 22573724
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide
CID 22573759
3-[4-(1-azabicyclo[3.2.2]nonan-3-ylcarbamoyl)phenyl]sulfanylbenzamide
CID 22573271
N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(3H-1,2-thiazol-2-ylsulfanyl)benzamide
CID 22573639
N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide
CID 22481698
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 22573515
N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-6-carboxamide
CID 22481751
N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide
CID 90905599
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide
CID 18180518
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-chlorothiophen-2-yl)sulfanylbenzamide
CID 18383467
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573531
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
CID 10471783

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide?
The IUPAC name of N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide (CID 22573621) is N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide?
The canonical SMILES for N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide is O=C(NC1CC2CCN(CC2)C1)c1ccc(Sc2cncs2)cc1.
What is the InChIKey of N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide?
The InChIKey is YWDSLOAMLKAKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS2/c22-18(20-15-9-13-5-7-21(11-15)8-6-13)14-1-3-16(4-2-14)24-17-10-19-12-23-17/h1-4,10,12-13,15H,5-9,11H2,(H,20,22).
What are the key properties of N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide?
N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide has a molecular weight of 359.52 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide is sourced from PubChem (CID 22573621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).