1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione

C8H9N3O2S — CID 11390201

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
SMILESCCc1nnc(N2C(=O)CCC2=O)s1
InChIInChI=1S/C8H9N3O2S/c1-2-5-9-10-8(14-5)11-6(12)3-4-7(11)13/h2-4H2,1H3
InChIKeyYRHGZXDLYOYDHX-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.75
Rot. Bonds2

About 1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione

1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione (PubChem CID 11390201) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
PubChem CID11390201
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
SMILESCCc1nnc(N2C(=O)CCC2=O)s1
InChIInChI=1S/C8H9N3O2S/c1-2-5-9-10-8(14-5)11-6(12)3-4-7(11)13/h2-4H2,1H3
InChIKeyYRHGZXDLYOYDHX-UHFFFAOYSA-N
XLogP0.75
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
CID 43860629
2-[1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
CID 43827204
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662204
[1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672891
(6R)-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98805016
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17424534
4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 154564819
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
CID 70619610
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one
CID 46259727
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 107647549
ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde
CID 142566157
[2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium
CID 144680231

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione (CID 11390201) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione is CCc1nnc(N2C(=O)CCC2=O)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione?
The InChIKey is YRHGZXDLYOYDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-2-5-9-10-8(14-5)11-6(12)3-4-7(11)13/h2-4H2,1H3.
What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione has a molecular weight of 211.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 11390201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).