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

C12H18N4OS — CID 126797900

IUPAC6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESCCc1nsc(NC2CCC(=O)NC2C2CC2)n1
InChIInChI=1S/C12H18N4OS/c1-2-9-14-12(18-16-9)13-8-5-6-10(17)15-11(8)7-3-4-7/h7-8,11H,2-6H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyQWMSTCJJACVHRD-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.57
Rot. Bonds4

About 6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one

6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (PubChem CID 126797900) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
PubChem CID126797900
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESCCc1nsc(NC2CCC(=O)NC2C2CC2)n1
InChIInChI=1S/C12H18N4OS/c1-2-9-14-12(18-16-9)13-8-5-6-10(17)15-11(8)7-3-4-7/h7-8,11H,2-6H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyQWMSTCJJACVHRD-UHFFFAOYSA-N
XLogP1.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The IUPAC name of 6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (CID 126797900) is 6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.
What is the SMILES notation for 6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The canonical SMILES for 6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is CCc1nsc(NC2CCC(=O)NC2C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The InChIKey is QWMSTCJJACVHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-2-9-14-12(18-16-9)13-8-5-6-10(17)15-11(8)7-3-4-7/h7-8,11H,2-6H2,1H3,(H,15,17)(H,13,14,16).
What are the key properties of 6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one has a molecular weight of 266.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 126797900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).