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

C12H16N4OS — CID 71924182

IUPAC1-cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2nc(C3CC3)ns2)CN1C1CC1
InChIInChI=1S/C12H16N4OS/c17-10-5-8(6-16(10)9-3-4-9)13-12-14-11(15-18-12)7-1-2-7/h7-9H,1-6H2,(H,13,14,15)
InChIKeyWHMVOYKUDNCLPT-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.59
Rot. Bonds4

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

1-cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (PubChem CID 71924182) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
PubChem CID71924182
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2nc(C3CC3)ns2)CN1C1CC1
InChIInChI=1S/C12H16N4OS/c17-10-5-8(6-16(10)9-3-4-9)13-12-14-11(15-18-12)7-1-2-7/h7-9H,1-6H2,(H,13,14,15)
InChIKeyWHMVOYKUDNCLPT-UHFFFAOYSA-N
XLogP1.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.59
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-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (CID 71924182) is 1-cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is O=C1CC(Nc2nc(C3CC3)ns2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The InChIKey is WHMVOYKUDNCLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c17-10-5-8(6-16(10)9-3-4-9)13-12-14-11(15-18-12)7-1-2-7/h7-9H,1-6H2,(H,13,14,15).
What are the key properties of 1-cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
1-cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one has a molecular weight of 264.35 g/mol, XLogP of 1.59, 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-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 71924182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).