3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione

C12H16N4O3S — CID 66075529

IUPAC3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione
SMILESCCCc1nnsc1C(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C12H16N4O3S/c1-4-5-7-9(20-15-14-7)10(18)16-6-8(17)13-11(19)12(16,2)3/h4-6H2,1-3H3,(H,13,17,19)
InChIKeyUXWBMGOUSHDBEZ-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.37
Rot. Bonds3

About 3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione

3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione (PubChem CID 66075529) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione
PubChem CID66075529
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione
SMILESCCCc1nnsc1C(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C12H16N4O3S/c1-4-5-7-9(20-15-14-7)10(18)16-6-8(17)13-11(19)12(16,2)3/h4-6H2,1-3H3,(H,13,17,19)
InChIKeyUXWBMGOUSHDBEZ-UHFFFAOYSA-N
XLogP0.37
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65461323
3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione
CID 66073832
3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one
CID 65210016
3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one
CID 63606888
4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66073806
4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione
CID 105070552
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
CID 79810820
3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66074634
[(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 82755339
[(2R)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 82755954
4-[3-(3-aminoprop-1-ynyl)thiophene-2-carbonyl]-3,3-dimethylpiperazine-2,6-dione
CID 66069410
2-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697246

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione (CID 66075529) is 3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione is CCCc1nnsc1C(=O)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione?
The InChIKey is UXWBMGOUSHDBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-4-5-7-9(20-15-14-7)10(18)16-6-8(17)13-11(19)12(16,2)3/h4-6H2,1-3H3,(H,13,17,19).
What are the key properties of 3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione?
3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione has a molecular weight of 296.35 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(4-propylthiadiazole-5-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66075529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).