3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C16H24N4O2S — CID 71868957

IUPAC3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCC(C)(NCCN1C(=O)NC2(CCCC2)C1=O)c1nccs1
InChIInChI=1S/C16H24N4O2S/c1-3-15(2,12-17-9-11-23-12)18-8-10-20-13(21)16(19-14(20)22)6-4-5-7-16/h9,11,18H,3-8,10H2,1-2H3,(H,19,22)
InChIKeyQDXVCDDTXBQPGJ-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.22
Rot. Bonds6

About 3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 71868957) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID71868957
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCC(C)(NCCN1C(=O)NC2(CCCC2)C1=O)c1nccs1
InChIInChI=1S/C16H24N4O2S/c1-3-15(2,12-17-9-11-23-12)18-8-10-20-13(21)16(19-14(20)22)6-4-5-7-16/h9,11,18H,3-8,10H2,1-2H3,(H,19,22)
InChIKeyQDXVCDDTXBQPGJ-UHFFFAOYSA-N
XLogP2.22
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione 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

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 8141687
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(2-(thiazol-2-yl)ethyl)acetamide
CID 60180585
N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71986715
N-(methylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 72114766
Cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84595438
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72006421
N,N-dimethyl-1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxamide
CID 72015186
3-[2-(2-Methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75447188
5,5-dimethyl-3-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]imidazolidine-2,4-dione
CID 95901346
3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione
CID 95901370
1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one
CID 128995029
N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 167992873

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 71868957) is 3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CCC(C)(NCCN1C(=O)NC2(CCCC2)C1=O)c1nccs1.
What is the InChIKey of 3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is QDXVCDDTXBQPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-3-15(2,12-17-9-11-23-12)18-8-10-20-13(21)16(19-14(20)22)6-4-5-7-16/h9,11,18H,3-8,10H2,1-2H3,(H,19,22).
What are the key properties of 3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 336.46 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 71868957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).