3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione

C20H22N2O2S — CID 90766086

IUPAC3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(-c2nc(C3C(=O)NC4(CCCCC4)C3=O)c(C)s2)cc1
InChIInChI=1S/C20H22N2O2S/c1-12-6-8-14(9-7-12)19-21-16(13(2)25-19)15-17(23)20(22-18(15)24)10-4-3-5-11-20/h6-9,15H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyWFPXZDMVSVBPKS-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.91
Rot. Bonds2

About 3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione

3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 90766086) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione
PubChem CID90766086
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(-c2nc(C3C(=O)NC4(CCCCC4)C3=O)c(C)s2)cc1
InChIInChI=1S/C20H22N2O2S/c1-12-6-8-14(9-7-12)19-21-16(13(2)25-19)15-17(23)20(22-18(15)24)10-4-3-5-11-20/h6-9,15H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyWFPXZDMVSVBPKS-UHFFFAOYSA-N
XLogP3.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione (CID 90766086) is 3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione is Cc1ccc(-c2nc(C3C(=O)NC4(CCCCC4)C3=O)c(C)s2)cc1.
What is the InChIKey of 3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is WFPXZDMVSVBPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-12-6-8-14(9-7-12)19-21-16(13(2)25-19)15-17(23)20(22-18(15)24)10-4-3-5-11-20/h6-9,15H,3-5,10-11H2,1-2H3,(H,22,24).
What are the key properties of 3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione?
3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 354.48 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 90766086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).