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

C17H20N4OS — CID 18180659

IUPACN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide
SMILESCC1C(NC(=O)c2ncc(-c3ccncc3)s2)C2CCN1CC2
InChIInChI=1S/C17H20N4OS/c1-11-15(13-4-8-21(11)9-5-13)20-16(22)17-19-10-14(23-17)12-2-6-18-7-3-12/h2-3,6-7,10-11,13,15H,4-5,8-9H2,1H3,(H,20,22)
InChIKeyVSKHIZYMYGPLLP-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.42
Rot. Bonds3

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

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide (PubChem CID 18180659) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide
PubChem CID18180659
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide
SMILESCC1C(NC(=O)c2ncc(-c3ccncc3)s2)C2CCN1CC2
InChIInChI=1S/C17H20N4OS/c1-11-15(13-4-8-21(11)9-5-13)20-16(22)17-19-10-14(23-17)12-2-6-18-7-3-12/h2-3,6-7,10-11,13,15H,4-5,8-9H2,1H3,(H,20,22)
InChIKeyVSKHIZYMYGPLLP-UHFFFAOYSA-N
XLogP2.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(E)-3-(3-methylthiophen-2-yl)-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]prop-2-enamide
CID 71450158
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
CID 72696905
[4-[[Pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 56665589
N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-1,3-thiazole-2-carboxamide
CID 56682771
N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
CID 134535544
N-({1-[(2-Fluorophenyl)methyl]piperidin-4-YL}methyl)-2-(pyridin-4-YL)-1,3-thiazole-4-carboxamide
CID 53035160
2-[methyl(pyridin-2-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
CID 110221958
2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
CID 110221966
2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
CID 110222089
1'-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-(2-pyridinylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 25275405
1-[2-(Pyridin-4-yl)-1,3-thiazole-4-carbonyl]-1,4-bipiperidine
CID 50819266
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 53002366

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide (CID 18180659) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide is CC1C(NC(=O)c2ncc(-c3ccncc3)s2)C2CCN1CC2.
What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide?
The InChIKey is VSKHIZYMYGPLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11-15(13-4-8-21(11)9-5-13)20-16(22)17-19-10-14(23-17)12-2-6-18-7-3-12/h2-3,6-7,10-11,13,15H,4-5,8-9H2,1H3,(H,20,22).
What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide?
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 18180659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).