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

C11H18N4OS — CID 75376042

IUPAC1-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCc1nsc(NC2CC(=O)N(C(C)(C)C)C2)n1
InChIInChI=1S/C11H18N4OS/c1-7-12-10(17-14-7)13-8-5-9(16)15(6-8)11(2,3)4/h8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyVRZMMTZYKNZKMU-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.66
Rot. Bonds2

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

1-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (PubChem CID 75376042) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
PubChem CID75376042
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCc1nsc(NC2CC(=O)N(C(C)(C)C)C2)n1
InChIInChI=1S/C11H18N4OS/c1-7-12-10(17-14-7)13-8-5-9(16)15(6-8)11(2,3)4/h8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyVRZMMTZYKNZKMU-UHFFFAOYSA-N
XLogP1.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.66
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-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (CID 75376042) is 1-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is Cc1nsc(NC2CC(=O)N(C(C)(C)C)C2)n1.
What is the InChIKey of 1-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The InChIKey is VRZMMTZYKNZKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7-12-10(17-14-7)13-8-5-9(16)15(6-8)11(2,3)4/h8H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 1-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
1-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one has a molecular weight of 254.36 g/mol, XLogP of 1.66, 2 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-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 75376042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).