[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

C18H25N3O2S — CID 131684482

About [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 131684482) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

• Compound Name: [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
• PubChem CID: 131684482
• Molecular Formula: C18H25N3O2S
• Molecular Weight: 347.48 g/mol
• Exact Mass: 347.17
• IUPAC Name: [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
• SMILES: O=C(C1[C@H]2COC[C@@H]12)N1CCC2(CCN(Cc3nccs3)C2)CC1
• InChI: InChI=1S/C18H25N3O2S/c22-17(16-13-10-23-11-14(13)16)21-6-2-18(3-7-21)1-5-20(12-18)9-15-19-4-8-24-15/h4,8,13-14,16H,1-3,5-7,9-12H2/t13-,14+,16?
• InChIKey: BZKPFYMXXGDOKK-MZBDJJRSSA-N
• XLogP: 1.85
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.48
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The IUPAC name of [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 131684482) is [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.

What is the SMILES notation for [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The canonical SMILES for [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is O=C(C1[C@H]2COC[C@@H]12)N1CCC2(CCN(Cc3nccs3)C2)CC1.

What is the InChIKey of [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The InChIKey is BZKPFYMXXGDOKK-MZBDJJRSSA-N. The full InChI is InChI=1S/C18H25N3O2S/c22-17(16-13-10-23-11-14(13)16)21-6-2-18(3-7-21)1-5-20(12-18)9-15-19-4-8-24-15/h4,8,13-14,16H,1-3,5-7,9-12H2/t13-,14+,16?.

What are the key properties of [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?

[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 347.48 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 131684482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).