4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione

C10H14N4O2S — CID 79506357

IUPAC4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione
SMILESCNc1snnc1CN1C(=O)CC(C)CC1=O
InChIInChI=1S/C10H14N4O2S/c1-6-3-8(15)14(9(16)4-6)5-7-10(11-2)17-13-12-7/h6,11H,3-5H2,1-2H3
InChIKeyCISOMFPHVDYZRJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.86
Rot. Bonds3

About 4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione

4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione (PubChem CID 79506357) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione
PubChem CID79506357
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione
SMILESCNc1snnc1CN1C(=O)CC(C)CC1=O
InChIInChI=1S/C10H14N4O2S/c1-6-3-8(15)14(9(16)4-6)5-7-10(11-2)17-13-12-7/h6,11H,3-5H2,1-2H3
InChIKeyCISOMFPHVDYZRJ-UHFFFAOYSA-N
XLogP0.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione?
The IUPAC name of 4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione (CID 79506357) is 4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione.
What is the SMILES notation for 4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione?
The canonical SMILES for 4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione is CNc1snnc1CN1C(=O)CC(C)CC1=O.
What is the InChIKey of 4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione?
The InChIKey is CISOMFPHVDYZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-6-3-8(15)14(9(16)4-6)5-7-10(11-2)17-13-12-7/h6,11H,3-5H2,1-2H3.
What are the key properties of 4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione?
4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione has a molecular weight of 254.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 79506357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).