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

C13H22N4OS — CID 71976849

IUPAC1-tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCC(C)c1nsc(NC2CC(=O)N(C(C)(C)C)C2)n1
InChIInChI=1S/C13H22N4OS/c1-8(2)11-15-12(19-16-11)14-9-6-10(18)17(7-9)13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyHFUMQPOJZDQRQX-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.47
Rot. Bonds3

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

1-tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (PubChem CID 71976849) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
PubChem CID71976849
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name1-tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCC(C)c1nsc(NC2CC(=O)N(C(C)(C)C)C2)n1
InChIInChI=1S/C13H22N4OS/c1-8(2)11-15-12(19-16-11)14-9-6-10(18)17(7-9)13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyHFUMQPOJZDQRQX-UHFFFAOYSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.47
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-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (CID 71976849) is 1-tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is CC(C)c1nsc(NC2CC(=O)N(C(C)(C)C)C2)n1.
What is the InChIKey of 1-tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The InChIKey is HFUMQPOJZDQRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-8(2)11-15-12(19-16-11)14-9-6-10(18)17(7-9)13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 1-tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
1-tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one has a molecular weight of 282.41 g/mol, XLogP of 2.47, 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-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 71976849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).