3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C20H23N3O2S — CID 7567666

IUPAC3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCc1ccc(-c2nc(CN3C(=O)NC4(CCCCCC4)C3=O)cs2)cc1
InChIInChI=1S/C20H23N3O2S/c1-14-6-8-15(9-7-14)17-21-16(13-26-17)12-23-18(24)20(22-19(23)25)10-4-2-3-5-11-20/h6-9,13H,2-5,10-12H2,1H3,(H,22,25)
InChIKeyJBENSTBGJZZQOY-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.26
Rot. Bonds3

About 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 7567666) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID7567666
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCc1ccc(-c2nc(CN3C(=O)NC4(CCCCCC4)C3=O)cs2)cc1
InChIInChI=1S/C20H23N3O2S/c1-14-6-8-15(9-7-14)17-21-16(13-26-17)12-23-18(24)20(22-19(23)25)10-4-2-3-5-11-20/h6-9,13H,2-5,10-12H2,1H3,(H,22,25)
InChIKeyJBENSTBGJZZQOY-UHFFFAOYSA-N
XLogP4.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 7567666) is 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is Cc1ccc(-c2nc(CN3C(=O)NC4(CCCCCC4)C3=O)cs2)cc1.
What is the InChIKey of 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is JBENSTBGJZZQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-6-8-15(9-7-14)17-21-16(13-26-17)12-23-18(24)20(22-19(23)25)10-4-2-3-5-11-20/h6-9,13H,2-5,10-12H2,1H3,(H,22,25).
What are the key properties of 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 369.49 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 7567666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).