4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide

C17H24N4O3S — CID 46452899

About 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 46452899) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 46452899
• Molecular Formula: C17H24N4O3S
• Molecular Weight: 364.47 g/mol
• Exact Mass: 364.16
• IUPAC Name: 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(C(C)C)sc1C(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O
• InChI: InChI=1S/C17H24N4O3S/c1-9(2)14-18-11(4)12(25-14)13(22)20-21-15(23)17(19-16(21)24)7-5-10(3)6-8-17/h9-10H,5-8H2,1-4H3,(H,19,24)(H,20,22)
• InChIKey: YQVNSKRFYHCGNE-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.47
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 46452899) is 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O.

What is the InChIKey of 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is YQVNSKRFYHCGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-9(2)14-18-11(4)12(25-14)13(22)20-21-15(23)17(19-16(21)24)7-5-10(3)6-8-17/h9-10H,5-8H2,1-4H3,(H,19,24)(H,20,22).

What are the key properties of 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?

4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46452899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).