5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one

C13H14N4OS — CID 86816199

IUPAC5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESO=C1CCC(Nc2nc(-c3ccccc3)ns2)CN1
InChIInChI=1S/C13H14N4OS/c18-11-7-6-10(8-14-11)15-13-16-12(17-19-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,15,16,17)
InChIKeyHNVFHEKEKUQEOH-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.90
Rot. Bonds3

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

5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (PubChem CID 86816199) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
PubChem CID86816199
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESO=C1CCC(Nc2nc(-c3ccccc3)ns2)CN1
InChIInChI=1S/C13H14N4OS/c18-11-7-6-10(8-14-11)15-13-16-12(17-19-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,15,16,17)
InChIKeyHNVFHEKEKUQEOH-UHFFFAOYSA-N
XLogP1.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The IUPAC name of 5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (CID 86816199) is 5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The canonical SMILES for 5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is O=C1CCC(Nc2nc(-c3ccccc3)ns2)CN1.
What is the InChIKey of 5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The InChIKey is HNVFHEKEKUQEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-11-7-6-10(8-14-11)15-13-16-12(17-19-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,15,16,17).
What are the key properties of 5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one has a molecular weight of 274.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 86816199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).