2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide

C15H22N4O2S — CID 50954941

IUPAC2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
SMILESCc1csc(NC(=O)C(=O)N2CCC3(CCN(C)C3)CC2)n1
InChIInChI=1S/C15H22N4O2S/c1-11-9-22-14(16-11)17-12(20)13(21)19-7-4-15(5-8-19)3-6-18(2)10-15/h9H,3-8,10H2,1-2H3,(H,16,17,20)
InChIKeyVVCOAAHSFVFNKD-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.33
Rot. Bonds1

About 2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide

2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide (PubChem CID 50954941) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
PubChem CID50954941
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
SMILESCc1csc(NC(=O)C(=O)N2CCC3(CCN(C)C3)CC2)n1
InChIInChI=1S/C15H22N4O2S/c1-11-9-22-14(16-11)17-12(20)13(21)19-7-4-15(5-8-19)3-6-18(2)10-15/h9H,3-8,10H2,1-2H3,(H,16,17,20)
InChIKeyVVCOAAHSFVFNKD-UHFFFAOYSA-N
XLogP1.33
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide?
The IUPAC name of 2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide (CID 50954941) is 2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide?
The canonical SMILES for 2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide is Cc1csc(NC(=O)C(=O)N2CCC3(CCN(C)C3)CC2)n1.
What is the InChIKey of 2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide?
The InChIKey is VVCOAAHSFVFNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11-9-22-14(16-11)17-12(20)13(21)19-7-4-15(5-8-19)3-6-18(2)10-15/h9H,3-8,10H2,1-2H3,(H,16,17,20).
What are the key properties of 2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide?
2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide has a molecular weight of 322.43 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 50954941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).