1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one

C11H16N4OS — CID 71924181

IUPAC1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCCc1nsc(NC2CC(=O)N(C3CC3)C2)n1
InChIInChI=1S/C11H16N4OS/c1-2-9-13-11(17-14-9)12-7-5-10(16)15(6-7)8-3-4-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyZUBPMXVZDQQDRA-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.28
Rot. Bonds4

About 1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one

1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (PubChem CID 71924181) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
PubChem CID71924181
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCCc1nsc(NC2CC(=O)N(C3CC3)C2)n1
InChIInChI=1S/C11H16N4OS/c1-2-9-13-11(17-14-9)12-7-5-10(16)15(6-7)8-3-4-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyZUBPMXVZDQQDRA-UHFFFAOYSA-N
XLogP1.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (CID 71924181) is 1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is CCc1nsc(NC2CC(=O)N(C3CC3)C2)n1.
What is the InChIKey of 1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The InChIKey is ZUBPMXVZDQQDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-2-9-13-11(17-14-9)12-7-5-10(16)15(6-7)8-3-4-8/h7-8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one has a molecular weight of 252.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 71924181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).