N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C20H28N6O5S — CID 55454915

IUPACN'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1csc(N3CCOCC3)n1)C2=O
InChIInChI=1S/C20H28N6O5S/c1-2-13-3-5-20(6-4-13)17(29)26(18(30)22-20)11-15(27)23-24-16(28)14-12-32-19(21-14)25-7-9-31-10-8-25/h12-13H,2-11H2,1H3,(H,22,30)(H,23,27)(H,24,28)
InChIKeySAJQFJYBLCKAFY-UHFFFAOYSA-N
MW464.55 g/mol
LogP0.63
Rot. Bonds5

About N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 55454915) has the molecular formula C20H28N6O5S and a molecular weight of 464.55 g/mol. Its IUPAC name is N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID55454915
Molecular FormulaC20H28N6O5S
Molecular Weight464.55 g/mol
Exact Mass464.18
IUPAC NameN'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1csc(N3CCOCC3)n1)C2=O
InChIInChI=1S/C20H28N6O5S/c1-2-13-3-5-20(6-4-13)17(29)26(18(30)22-20)11-15(27)23-24-16(28)14-12-32-19(21-14)25-7-9-31-10-8-25/h12-13H,2-11H2,1H3,(H,22,30)(H,23,27)(H,24,28)
InChIKeySAJQFJYBLCKAFY-UHFFFAOYSA-N
XLogP0.63
TPSA132.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N'-[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553661
N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 18120613
N-(2-amino-2-methylpropyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119627267
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
CID 55585898
3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553651
N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 41452787
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55311708
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 112763372
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
N-[2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]ethyl]-4-hydroxybenzamide
CID 55869488
2-(4-ethoxyphenoxy)-N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide
CID 55344117

Frequently Asked Questions

What is the IUPAC name of N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 55454915) is N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1csc(N3CCOCC3)n1)C2=O.
What is the InChIKey of N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is SAJQFJYBLCKAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O5S/c1-2-13-3-5-20(6-4-13)17(29)26(18(30)22-20)11-15(27)23-24-16(28)14-12-32-19(21-14)25-7-9-31-10-8-25/h12-13H,2-11H2,1H3,(H,22,30)(H,23,27)(H,24,28).
What are the key properties of N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 464.55 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 55454915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).