(2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol

C16H26N2O3S — CID 124809869

About (2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol

(2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol (PubChem CID 124809869) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is (2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol
• PubChem CID: 124809869
• Molecular Formula: C16H26N2O3S
• Molecular Weight: 326.46 g/mol
• Exact Mass: 326.17
• IUPAC Name: (2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol
• SMILES: Cc1nc(CO[C@@H]2CO[C@]3(CCCN(C[C@H](C)O)C3)C2)cs1
• InChI: InChI=1S/C16H26N2O3S/c1-12(19)7-18-5-3-4-16(11-18)6-15(9-21-16)20-8-14-10-22-13(2)17-14/h10,12,15,19H,3-9,11H2,1-2H3/t12-,15-,16+/m0/s1
• InChIKey: MLTMFYUSEWZAMG-VBNZEHGJSA-N
• XLogP: 1.97
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.46
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol?

The IUPAC name of (2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol (CID 124809869) is (2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol.

What is the SMILES notation for (2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol?

The canonical SMILES for (2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol is Cc1nc(CO[C@@H]2CO[C@]3(CCCN(C[C@H](C)O)C3)C2)cs1.

What is the InChIKey of (2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol?

The InChIKey is MLTMFYUSEWZAMG-VBNZEHGJSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12(19)7-18-5-3-4-16(11-18)6-15(9-21-16)20-8-14-10-22-13(2)17-14/h10,12,15,19H,3-9,11H2,1-2H3/t12-,15-,16+/m0/s1.

What are the key properties of (2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol?

(2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol has a molecular weight of 326.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol is sourced from PubChem (CID 124809869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).