1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one

C19H24N4O3S — CID 131683845

About 1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one

1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one (PubChem CID 131683845) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one
• PubChem CID: 131683845
• Molecular Formula: C19H24N4O3S
• Molecular Weight: 388.49 g/mol
• Exact Mass: 388.16
• IUPAC Name: 1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one
• SMILES: Cn1c(C(=O)N2CCC3(CC2)CN(Cc2nccs2)CCO3)cccc1=O
• InChI: InChI=1S/C19H24N4O3S/c1-21-15(3-2-4-17(21)24)18(25)23-8-5-19(6-9-23)14-22(10-11-26-19)13-16-20-7-12-27-16/h2-4,7,12H,5-6,8-11,13-14H2,1H3
• InChIKey: SXYPAOLDRNFSPF-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 67.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.49
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one?

The IUPAC name of 1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one (CID 131683845) is 1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one.

What is the SMILES notation for 1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one?

The canonical SMILES for 1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one is Cn1c(C(=O)N2CCC3(CC2)CN(Cc2nccs2)CCO3)cccc1=O.

What is the InChIKey of 1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one?

The InChIKey is SXYPAOLDRNFSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-21-15(3-2-4-17(21)24)18(25)23-8-5-19(6-9-23)14-22(10-11-26-19)13-16-20-7-12-27-16/h2-4,7,12H,5-6,8-11,13-14H2,1H3.

What are the key properties of 1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one?

1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one has a molecular weight of 388.49 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-6-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridin-2-one is sourced from PubChem (CID 131683845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).