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

C17H19N3O2S — CID 18181916

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ncc(-c2ccc(O)cc2)s1
InChIInChI=1S/C17H19N3O2S/c21-13-3-1-12(2-4-13)15-9-18-17(23-15)16(22)19-14-10-20-7-5-11(14)6-8-20/h1-4,9,11,14,21H,5-8,10H2,(H,19,22)
InChIKeyJOMUWSXNLBZFSR-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.34
Rot. Bonds3

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 18181916) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide
PubChem CID18181916
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ncc(-c2ccc(O)cc2)s1
InChIInChI=1S/C17H19N3O2S/c21-13-3-1-12(2-4-13)15-9-18-17(23-15)16(22)19-14-10-20-7-5-11(14)6-8-20/h1-4,9,11,14,21H,5-8,10H2,(H,19,22)
InChIKeyJOMUWSXNLBZFSR-UHFFFAOYSA-N
XLogP2.34
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 70025854
5-(4-acetamidophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
CID 18181261
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-hydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 20815096
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3,5-difluorophenyl)-1,3-thiazole-2-carboxamide
CID 18180833
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10154517
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-(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
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxamide
CID 18181077

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide (CID 18181916) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ncc(-c2ccc(O)cc2)s1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is JOMUWSXNLBZFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-13-3-1-12(2-4-13)15-9-18-17(23-15)16(22)19-14-10-20-7-5-11(14)6-8-20/h1-4,9,11,14,21H,5-8,10H2,(H,19,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxyphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 18181916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).