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

C10H14N4OS — CID 65276357

IUPAC3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1nc(C2CC2)ns1
InChIInChI=1S/C10H14N4OS/c15-9-7(2-1-5-11-9)12-10-13-8(14-16-10)6-3-4-6/h6-7H,1-5H2,(H,11,15)(H,12,13,14)
InChIKeyOCMAZWKHPNNRMN-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.11
Rot. Bonds3

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

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (PubChem CID 65276357) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
PubChem CID65276357
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1nc(C2CC2)ns1
InChIInChI=1S/C10H14N4OS/c15-9-7(2-1-5-11-9)12-10-13-8(14-16-10)6-3-4-6/h6-7H,1-5H2,(H,11,15)(H,12,13,14)
InChIKeyOCMAZWKHPNNRMN-UHFFFAOYSA-N
XLogP1.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (CID 65276357) is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is O=C1NCCCC1Nc1nc(C2CC2)ns1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The InChIKey is OCMAZWKHPNNRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c15-9-7(2-1-5-11-9)12-10-13-8(14-16-10)6-3-4-6/h6-7H,1-5H2,(H,11,15)(H,12,13,14).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one has a molecular weight of 238.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 65276357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).