(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone

C15H15N3O2S2 — CID 131652969

About (7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone

(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 131652969) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

• Compound Name: (7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone
• PubChem CID: 131652969
• Molecular Formula: C15H15N3O2S2
• Molecular Weight: 333.44 g/mol
• Exact Mass: 333.06
• IUPAC Name: (7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone
• SMILES: O=C(c1cscn1)N1CC2(CC(Oc3ccccn3)CS2)C1
• InChI: InChI=1S/C15H15N3O2S2/c19-14(12-7-21-10-17-12)18-8-15(9-18)5-11(6-22-15)20-13-3-1-2-4-16-13/h1-4,7,10-11H,5-6,8-9H2
• InChIKey: YPVSVDQCDRJQLK-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 55.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.44
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone?

The IUPAC name of (7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone (CID 131652969) is (7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone.

What is the SMILES notation for (7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone?

The canonical SMILES for (7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CC2(CC(Oc3ccccn3)CS2)C1.

What is the InChIKey of (7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone?

The InChIKey is YPVSVDQCDRJQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c19-14(12-7-21-10-17-12)18-8-15(9-18)5-11(6-22-15)20-13-3-1-2-4-16-13/h1-4,7,10-11H,5-6,8-9H2.

What are the key properties of (7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone?

(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 333.44 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131652969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).