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

C11H16N4OS — CID 65274054

IUPAC5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2nc(C3CC3)ns2)CCC1=O
InChIInChI=1S/C11H16N4OS/c1-15-6-8(4-5-9(15)16)12-11-13-10(14-17-11)7-2-3-7/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyOVVUXFKHNUVQQL-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.45
Rot. Bonds3

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

5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one (PubChem CID 65274054) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
PubChem CID65274054
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2nc(C3CC3)ns2)CCC1=O
InChIInChI=1S/C11H16N4OS/c1-15-6-8(4-5-9(15)16)12-11-13-10(14-17-11)7-2-3-7/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyOVVUXFKHNUVQQL-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924181
1-Tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71976849
1-Methyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274053
1-Cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924182
N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 75377037
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 75520974
Cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone
CID 84585889
N-[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 96567409
(5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
CID 96979437
1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 97092985
methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
CID 97319865

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one (CID 65274054) is 5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one is CN1CC(Nc2nc(C3CC3)ns2)CCC1=O.
What is the InChIKey of 5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is OVVUXFKHNUVQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-15-6-8(4-5-9(15)16)12-11-13-10(14-17-11)7-2-3-7/h7-8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one?
5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 252.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 65274054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).