1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H24N4O3S — CID 166612461

IUPAC1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(Cc2ccccc2)C2(CCN(C(=O)c3scnc3C)CC2)C1=O
InChIInChI=1S/C21H24N4O3S/c1-3-24-19(27)21(25(20(24)28)13-16-7-5-4-6-8-16)9-11-23(12-10-21)18(26)17-15(2)22-14-29-17/h4-8,14H,3,9-13H2,1-2H3
InChIKeyZBRARTCHHPYLLW-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.91
Rot. Bonds4

About 1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166612461) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166612461
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(Cc2ccccc2)C2(CCN(C(=O)c3scnc3C)CC2)C1=O
InChIInChI=1S/C21H24N4O3S/c1-3-24-19(27)21(25(20(24)28)13-16-7-5-4-6-8-16)9-11-23(12-10-21)18(26)17-15(2)22-14-29-17/h4-8,14H,3,9-13H2,1-2H3
InChIKeyZBRARTCHHPYLLW-UHFFFAOYSA-N
XLogP2.91
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623129
1-benzyl-3-ethyl-8-(5-ethyl-1,3-oxazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166613646
1-benzyl-3-ethyl-8-(5-methylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166612321
1-benzyl-8-[2-(2,2-difluorocyclopropyl)acetyl]-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166622607
1-benzyl-8-(4-methyl-1,3-oxazole-5-carbonyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166619184
1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119136798
1-benzyl-3-methyl-8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165421538
1-benzyl-3-(2-hydroxyethyl)-8-(1-methylpyrrole-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616248
11-benzyl-4-(4-methyl-1,3-thiazole-5-carbonyl)-1-oxa-4,11-diazaspiro[5.6]dodec-8-en-12-one
CID 110130746
8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428469
1-benzyl-3-methyl-8-(1-methylimidazole-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427381
1-benzyl-3-methyl-8-(2H-triazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427262

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166612461) is 1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(Cc2ccccc2)C2(CCN(C(=O)c3scnc3C)CC2)C1=O.
What is the InChIKey of 1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZBRARTCHHPYLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-3-24-19(27)21(25(20(24)28)13-16-7-5-4-6-8-16)9-11-23(12-10-21)18(26)17-15(2)22-14-29-17/h4-8,14H,3,9-13H2,1-2H3.
What are the key properties of 1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 412.52 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166612461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).