(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone

C22H21N3O3S — CID 121186106

About (3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone

(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone (PubChem CID 121186106) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is (3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone.

Molecular Properties

• Compound Name: (3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
• PubChem CID: 121186106
• Molecular Formula: C22H21N3O3S
• Molecular Weight: 407.50 g/mol
• Exact Mass: 407.13
• IUPAC Name: (3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
• SMILES: O=C(c1ccc(Oc2nccs2)cc1)N1C2CCC1CC(Oc1cccnc1)C2
• InChI: InChI=1S/C22H21N3O3S/c26-21(15-3-7-18(8-4-15)28-22-24-10-11-29-22)25-16-5-6-17(25)13-20(12-16)27-19-2-1-9-23-14-19/h1-4,7-11,14,16-17,20H,5-6,12-13H2
• InChIKey: BJGPSIHWCIAUJD-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 64.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.50
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone?

The IUPAC name of (3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone (CID 121186106) is (3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone.

What is the SMILES notation for (3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone?

The canonical SMILES for (3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone is O=C(c1ccc(Oc2nccs2)cc1)N1C2CCC1CC(Oc1cccnc1)C2.

What is the InChIKey of (3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone?

The InChIKey is BJGPSIHWCIAUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c26-21(15-3-7-18(8-4-15)28-22-24-10-11-29-22)25-16-5-6-17(25)13-20(12-16)27-19-2-1-9-23-14-19/h1-4,7-11,14,16-17,20H,5-6,12-13H2.

What are the key properties of (3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone?

(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone has a molecular weight of 407.50 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone is sourced from PubChem (CID 121186106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).