4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one

C18H28N2O3S — CID 131692866

About 4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one

4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one (PubChem CID 131692866) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one.

Molecular Properties

• Compound Name: 4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
• PubChem CID: 131692866
• Molecular Formula: C18H28N2O3S
• Molecular Weight: 352.50 g/mol
• Exact Mass: 352.18
• IUPAC Name: 4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
• SMILES: Cc1nc(COC2CCOC3(C2)CN(C(=O)CCC(C)C)C3)cs1
• InChI: InChI=1S/C18H28N2O3S/c1-13(2)4-5-17(21)20-11-18(12-20)8-16(6-7-23-18)22-9-15-10-24-14(3)19-15/h10,13,16H,4-9,11-12H2,1-3H3
• InChIKey: FTUOFTJWFRTGPN-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.50
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?

The IUPAC name of 4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one (CID 131692866) is 4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one.

What is the SMILES notation for 4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?

The canonical SMILES for 4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one is Cc1nc(COC2CCOC3(C2)CN(C(=O)CCC(C)C)C3)cs1.

What is the InChIKey of 4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?

The InChIKey is FTUOFTJWFRTGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-13(2)4-5-17(21)20-11-18(12-20)8-16(6-7-23-18)22-9-15-10-24-14(3)19-15/h10,13,16H,4-9,11-12H2,1-3H3.

What are the key properties of 4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?

4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one has a molecular weight of 352.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one is sourced from PubChem (CID 131692866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).