(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane

C16H18FN3O2S — CID 124782593

About (8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane

(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124782593) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is (8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

• Compound Name: (8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
• PubChem CID: 124782593
• Molecular Formula: C16H18FN3O2S
• Molecular Weight: 335.40 g/mol
• Exact Mass: 335.11
• IUPAC Name: (8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
• SMILES: Fc1cccnc1OC[C@@H]1CCOC12CN(Cc1nccs1)C2
• InChI: InChI=1S/C16H18FN3O2S/c17-13-2-1-4-19-15(13)21-9-12-3-6-22-16(12)10-20(11-16)8-14-18-5-7-23-14/h1-2,4-5,7,12H,3,6,8-11H2/t12-/m0/s1
• InChIKey: IHJMKLWLHMOAQB-LBPRGKRZSA-N
• XLogP: 2.35
• TPSA: 47.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.40
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane?

The IUPAC name of (8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane (CID 124782593) is (8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane.

What is the SMILES notation for (8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane?

The canonical SMILES for (8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane is Fc1cccnc1OC[C@@H]1CCOC12CN(Cc1nccs1)C2.

What is the InChIKey of (8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane?

The InChIKey is IHJMKLWLHMOAQB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c17-13-2-1-4-19-15(13)21-9-12-3-6-22-16(12)10-20(11-16)8-14-18-5-7-23-14/h1-2,4-5,7,12H,3,6,8-11H2/t12-/m0/s1.

What are the key properties of (8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane?

(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 335.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124782593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).