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

C21H24N4O4S — CID 46407840

IUPAC2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)cs2)cc1
InChIInChI=1S/C21H24N4O4S/c1-3-29-15-6-4-14(5-7-15)18-22-16(12-30-18)17(26)24-25-19(27)21(23-20(25)28)10-8-13(2)9-11-21/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,28)(H,24,26)
InChIKeySWIYMJFZWPREOP-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.35
Rot. Bonds5

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

2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 46407840) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID46407840
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)cs2)cc1
InChIInChI=1S/C21H24N4O4S/c1-3-29-15-6-4-14(5-7-15)18-22-16(12-30-18)17(26)24-25-19(27)21(23-20(25)28)10-8-13(2)9-11-21/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,28)(H,24,26)
InChIKeySWIYMJFZWPREOP-UHFFFAOYSA-N
XLogP3.35
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide
CID 16573967
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119424460
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119455343
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120576844
6-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pyridine-2-carboxamide
CID 32645806
(4-aminopiperidin-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119373031
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119572444
2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 32609720
6-methoxy-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pyridine-3-carboxamide
CID 24545842

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide (CID 46407840) is 2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SWIYMJFZWPREOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-3-29-15-6-4-14(5-7-15)18-22-16(12-30-18)17(26)24-25-19(27)21(23-20(25)28)10-8-13(2)9-11-21/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of 2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46407840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).