1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone

C19H23N3O4S — CID 110341784

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone (PubChem CID 110341784) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone.

Molecular Properties

• Compound Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone
• PubChem CID: 110341784
• Molecular Formula: C19H23N3O4S
• Molecular Weight: 389.48 g/mol
• Exact Mass: 389.14
• IUPAC Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone
• SMILES: Cc1ccc(OCc2nc(C)c(C(=O)N3CCC4(CC3)OCCO4)s2)cn1
• InChI: InChI=1S/C19H23N3O4S/c1-13-3-4-15(11-20-13)24-12-16-21-14(2)17(27-16)18(23)22-7-5-19(6-8-22)25-9-10-26-19/h3-4,11H,5-10,12H2,1-2H3
• InChIKey: UJRLTQQBZFUNKB-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 73.78 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.48
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone?

The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone (CID 110341784) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone.

What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone?

The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone is Cc1ccc(OCc2nc(C)c(C(=O)N3CCC4(CC3)OCCO4)s2)cn1.

What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone?

The InChIKey is UJRLTQQBZFUNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-3-4-15(11-20-13)24-12-16-21-14(2)17(27-16)18(23)22-7-5-19(6-8-22)25-9-10-26-19/h3-4,11H,5-10,12H2,1-2H3.

What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone?

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone has a molecular weight of 389.48 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 110341784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).