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

C11H18N4OS — CID 119037726

IUPAC4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESCC(C)c1nsc(NC2C(=O)NCCC2C)n1
InChIInChI=1S/C11H18N4OS/c1-6(2)9-14-11(17-15-9)13-8-7(3)4-5-12-10(8)16/h6-8H,4-5H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeyNUGOTVTWIKWQKG-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.60
Rot. Bonds3

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

4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (PubChem CID 119037726) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
PubChem CID119037726
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESCC(C)c1nsc(NC2C(=O)NCCC2C)n1
InChIInChI=1S/C11H18N4OS/c1-6(2)9-14-11(17-15-9)13-8-7(3)4-5-12-10(8)16/h6-8H,4-5H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeyNUGOTVTWIKWQKG-UHFFFAOYSA-N
XLogP1.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The IUPAC name of 4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (CID 119037726) is 4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.
What is the SMILES notation for 4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The canonical SMILES for 4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is CC(C)c1nsc(NC2C(=O)NCCC2C)n1.
What is the InChIKey of 4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The InChIKey is NUGOTVTWIKWQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-6(2)9-14-11(17-15-9)13-8-7(3)4-5-12-10(8)16/h6-8H,4-5H2,1-3H3,(H,12,16)(H,13,14,15).
What are the key properties of 4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one has a molecular weight of 254.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 119037726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).