5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide

C19H22N4O2S — CID 18181261

IUPAC5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cnc(C(=O)NC3CN4CCC3CC4)s2)cc1
InChIInChI=1S/C19H22N4O2S/c1-12(24)21-15-4-2-14(3-5-15)17-10-20-19(26-17)18(25)22-16-11-23-8-6-13(16)7-9-23/h2-5,10,13,16H,6-9,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyLSFFLNBWKUOFKR-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.59
Rot. Bonds4

About 5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide

5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 18181261) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
PubChem CID18181261
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cnc(C(=O)NC3CN4CCC3CC4)s2)cc1
InChIInChI=1S/C19H22N4O2S/c1-12(24)21-15-4-2-14(3-5-15)17-10-20-19(26-17)18(25)22-16-11-23-8-6-13(16)7-9-23/h2-5,10,13,16H,6-9,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyLSFFLNBWKUOFKR-UHFFFAOYSA-N
XLogP2.59
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 18181916
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 70025854
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide
CID 20815131
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10154517
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3,5-difluorophenyl)-1,3-thiazole-2-carboxamide
CID 18180833
5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
CID 18180537
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-hydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 20815096
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-nitrophenyl)-1,3-thiazole-2-carboxamide;1,3-thiazole-2-carboxamide
CID 157269587
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-cyanophenyl)-1,3-thiazole-2-carboxamide
CID 18182081
5-(4-aminophenyl)sulfanyl-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
CID 18181835
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfanyl-1,3-thiazole-2-carboxamide
CID 18180780
5-(3-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180969

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide (CID 18181261) is 5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide is CC(=O)Nc1ccc(-c2cnc(C(=O)NC3CN4CCC3CC4)s2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is LSFFLNBWKUOFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12(24)21-15-4-2-14(3-5-15)17-10-20-19(26-17)18(25)22-16-11-23-8-6-13(16)7-9-23/h2-5,10,13,16H,6-9,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide?
5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 18181261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).