(1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C17H20N4O2S — CID 129357126

IUPAC(1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1cnc(NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccn2)C3)s1
InChIInChI=1S/C17H20N4O2S/c1-11-10-19-16(24-11)20-17(22)21-12-5-6-13(21)9-14(8-12)23-15-4-2-3-7-18-15/h2-4,7,10,12-14H,5-6,8-9H2,1H3,(H,19,20,22)/t12-,13-/m0/s1
InChIKeyMJBGTYRILAPYCD-STQMWFEESA-N
MW344.44 g/mol
LogP3.45
Rot. Bonds3

About (1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide

(1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 129357126) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID129357126
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1cnc(NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccn2)C3)s1
InChIInChI=1S/C17H20N4O2S/c1-11-10-19-16(24-11)20-17(22)21-12-5-6-13(21)9-14(8-12)23-15-4-2-3-7-18-15/h2-4,7,10,12-14H,5-6,8-9H2,1H3,(H,19,20,22)/t12-,13-/m0/s1
InChIKeyMJBGTYRILAPYCD-STQMWFEESA-N
XLogP3.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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Related Compounds

N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195601
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
(1S,5R)-3-pyridin-2-yloxy-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 66927555
N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195642
1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129356016
oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195554
(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195568
oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195431
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121195411

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 129357126) is (1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is Cc1cnc(NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccn2)C3)s1.
What is the InChIKey of (1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is MJBGTYRILAPYCD-STQMWFEESA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-10-19-16(24-11)20-17(22)21-12-5-6-13(21)9-14(8-12)23-15-4-2-3-7-18-15/h2-4,7,10,12-14H,5-6,8-9H2,1H3,(H,19,20,22)/t12-,13-/m0/s1.
What are the key properties of (1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 129357126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).