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

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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).