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

C12H20N4OS — CID 71924183

IUPAC1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCCc1nsc(NC2CC(=O)N(C(C)(C)C)C2)n1
InChIInChI=1S/C12H20N4OS/c1-5-9-14-11(18-15-9)13-8-6-10(17)16(7-8)12(2,3)4/h8H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyGJWDJBLJLIARGL-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.91
Rot. Bonds3

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

1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (PubChem CID 71924183) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
PubChem CID71924183
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCCc1nsc(NC2CC(=O)N(C(C)(C)C)C2)n1
InChIInChI=1S/C12H20N4OS/c1-5-9-14-11(18-15-9)13-8-6-10(17)16(7-8)12(2,3)4/h8H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyGJWDJBLJLIARGL-UHFFFAOYSA-N
XLogP1.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (CID 71924183) is 1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is CCc1nsc(NC2CC(=O)N(C(C)(C)C)C2)n1.
What is the InChIKey of 1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The InChIKey is GJWDJBLJLIARGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-5-9-14-11(18-15-9)13-8-6-10(17)16(7-8)12(2,3)4/h8H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one has a molecular weight of 268.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 71924183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).