1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione

C17H19N5O2S — CID 166103687

IUPAC1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(-c2nccs2)nn1
InChIInChI=1S/C17H19N5O2S/c23-16-17(24)22(13-3-1-2-4-13)9-8-21(16)11-12-5-6-14(20-19-12)15-18-7-10-25-15/h5-7,10,13H,1-4,8-9,11H2
InChIKeyYMCUYNZTIAWMOG-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.71
Rot. Bonds4

About 1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione

1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione (PubChem CID 166103687) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione
PubChem CID166103687
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(-c2nccs2)nn1
InChIInChI=1S/C17H19N5O2S/c23-16-17(24)22(13-3-1-2-4-13)9-8-21(16)11-12-5-6-14(20-19-12)15-18-7-10-25-15/h5-7,10,13H,1-4,8-9,11H2
InChIKeyYMCUYNZTIAWMOG-UHFFFAOYSA-N
XLogP1.71
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione with MolForge

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Related Compounds

cyclopropane;1-(2-fluorophosphanylethyl)-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione
CID 166103515
1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione
CID 166103798
1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione
CID 166103271
1-cyclopentyl-4-[[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,3-dione
CID 166103727
1-cyclobutyl-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,3-dione
CID 166103881
1-cyclobutyl-4-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,3-dione
CID 166103626
1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione
CID 166103593
1-cyclopentyl-4-[(1-oxido-6-phenylpyridin-1-ium-3-yl)methyl]piperazine-2,3-dione
CID 166103469
1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione
CID 166103430
[1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279299
4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 53009375
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 20930287

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione (CID 166103687) is 1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione is O=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(-c2nccs2)nn1.
What is the InChIKey of 1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione?
The InChIKey is YMCUYNZTIAWMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-16-17(24)22(13-3-1-2-4-13)9-8-21(16)11-12-5-6-14(20-19-12)15-18-7-10-25-15/h5-7,10,13H,1-4,8-9,11H2.
What are the key properties of 1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione?
1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione has a molecular weight of 357.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 166103687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).