9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H24N4O2S — CID 72940356

About 9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72940356) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72940356
• Molecular Formula: C20H24N4O2S
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.16
• IUPAC Name: 9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1ncsc1C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1
• InChI: InChI=1S/C20H24N4O2S/c1-15-18(27-14-22-15)19(26)23-10-6-20(7-11-23)5-2-17(25)24(13-20)12-16-3-8-21-9-4-16/h3-4,8-9,14H,2,5-7,10-13H2,1H3
• InChIKey: WULPEOKOTTXQAP-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 66.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72940356) is 9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1ncsc1C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1.

What is the InChIKey of 9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is WULPEOKOTTXQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-15-18(27-14-22-15)19(26)23-10-6-20(7-11-23)5-2-17(25)24(13-20)12-16-3-8-21-9-4-16/h3-4,8-9,14H,2,5-7,10-13H2,1H3.

What are the key properties of 9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?

9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 384.51 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72940356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).