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

C16H18N4OS — CID 23599504

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1csc(-c2ccncc2)n1
InChIInChI=1S/C16H18N4OS/c21-15(18-13-9-20-7-3-11(13)4-8-20)14-10-22-16(19-14)12-1-5-17-6-2-12/h1-2,5-6,10-11,13H,3-4,7-9H2,(H,18,21)/t13-/m0/s1
InChIKeyQMLSLWFDKUVIPR-ZDUSSCGKSA-N
MW314.41 g/mol
LogP2.03
Rot. Bonds3

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 23599504) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID23599504
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1csc(-c2ccncc2)n1
InChIInChI=1S/C16H18N4OS/c21-15(18-13-9-20-7-3-11(13)4-8-20)14-10-22-16(19-14)12-1-5-17-6-2-12/h1-2,5-6,10-11,13H,3-4,7-9H2,(H,18,21)/t13-/m0/s1
InChIKeyQMLSLWFDKUVIPR-ZDUSSCGKSA-N
XLogP2.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 23599456
ethyl 4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116697644
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide
CID 58651148
N-(1-azabicyclo[2.2.2]octan-3-yl)furo[2,3-c]pyridine-2-carboxamide
CID 22047383
N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 88725895
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide
CID 155512318
N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047030
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 18180343
(5-pyridin-4-yl-2H-1,3-thiazol-3-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
CID 69301999
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide
CID 60858694
6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide
CID 62154374
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-fluoropyridine-2-carboxamide
CID 22243337

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 23599504) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1csc(-c2ccncc2)n1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is QMLSLWFDKUVIPR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-15(18-13-9-20-7-3-11(13)4-8-20)14-10-22-16(19-14)12-1-5-17-6-2-12/h1-2,5-6,10-11,13H,3-4,7-9H2,(H,18,21)/t13-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23599504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).