(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C19H24FN3O2S — CID 124783528

About (4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 124783528) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is (4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: (4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
• PubChem CID: 124783528
• Molecular Formula: C19H24FN3O2S
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.16
• IUPAC Name: (4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
• SMILES: Fc1cccnc1OCC[C@@H]1CCOC12CCN(Cc1nccs1)CC2
• InChI: InChI=1S/C19H24FN3O2S/c20-16-2-1-7-22-18(16)24-11-3-15-4-12-25-19(15)5-9-23(10-6-19)14-17-21-8-13-26-17/h1-2,7-8,13,15H,3-6,9-12,14H2/t15-/m1/s1
• InChIKey: QGAJJWIZKYGXAB-OAHLLOKOSA-N
• XLogP: 3.52
• TPSA: 47.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?

The IUPAC name of (4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 124783528) is (4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

What is the SMILES notation for (4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?

The canonical SMILES for (4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is Fc1cccnc1OCC[C@@H]1CCOC12CCN(Cc1nccs1)CC2.

What is the InChIKey of (4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?

The InChIKey is QGAJJWIZKYGXAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c20-16-2-1-7-22-18(16)24-11-3-15-4-12-25-19(15)5-9-23(10-6-19)14-17-21-8-13-26-17/h1-2,7-8,13,15H,3-6,9-12,14H2/t15-/m1/s1.

What are the key properties of (4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?

(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 377.49 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124783528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).