N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide

C20H24N4O2S — CID 98111259

IUPACN-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESO=C(CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2)Nc1nccs1
InChIInChI=1S/C20H24N4O2S/c25-18(23-20-21-9-10-27-20)13-24-16-7-4-8-17(24)12-15(11-16)22-19(26)14-5-2-1-3-6-14/h1-3,5-6,9-10,15-17H,4,7-8,11-13H2,(H,22,26)(H,21,23,25)/t16-,17-/m1/s1
InChIKeyJBUDETLIPALPHD-IAGOWNOFSA-N
MW384.51 g/mol
LogP2.90
Rot. Bonds5

About N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide

N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (PubChem CID 98111259) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
PubChem CID98111259
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESO=C(CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2)Nc1nccs1
InChIInChI=1S/C20H24N4O2S/c25-18(23-20-21-9-10-27-20)13-24-16-7-4-8-17(24)12-15(11-16)22-19(26)14-5-2-1-3-6-14/h1-3,5-6,9-10,15-17H,4,7-8,11-13H2,(H,22,26)(H,21,23,25)/t16-,17-/m1/s1
InChIKeyJBUDETLIPALPHD-IAGOWNOFSA-N
XLogP2.90
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 4085890
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CID 124678314
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
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CID 3220652
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CID 4155344
N-[9-[2-(2-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-5-carboxamide
CID 166501905
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2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 51576091
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
2-[(4R)-4-[benzylsulfonyl(methyl)amino]azepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92634989
3,4,5-trimethoxy-N-[(1S,5R)-9-[2-(4-methoxyanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 71768225

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The IUPAC name of N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (CID 98111259) is N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.
What is the SMILES notation for N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The canonical SMILES for N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is O=C(CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2)Nc1nccs1.
What is the InChIKey of N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The InChIKey is JBUDETLIPALPHD-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-18(23-20-21-9-10-27-20)13-24-16-7-4-8-17(24)12-15(11-16)22-19(26)14-5-2-1-3-6-14/h1-3,5-6,9-10,15-17H,4,7-8,11-13H2,(H,22,26)(H,21,23,25)/t16-,17-/m1/s1.
What are the key properties of N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide has a molecular weight of 384.51 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is sourced from PubChem (CID 98111259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).