1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one

C8H12N4OS — CID 62208840

IUPAC1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one
SMILESCNc1snnc1CN1CCCC1=O
InChIInChI=1S/C8H12N4OS/c1-9-8-6(10-11-14-8)5-12-4-2-3-7(12)13/h9H,2-5H2,1H3
InChIKeyXXOUUZHHDMZZGB-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.70
Rot. Bonds3

About 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one

1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one (PubChem CID 62208840) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one
PubChem CID62208840
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one
SMILESCNc1snnc1CN1CCCC1=O
InChIInChI=1S/C8H12N4OS/c1-9-8-6(10-11-14-8)5-12-4-2-3-7(12)13/h9H,2-5H2,1H3
InChIKeyXXOUUZHHDMZZGB-UHFFFAOYSA-N
XLogP0.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one (CID 62208840) is 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one is CNc1snnc1CN1CCCC1=O.
What is the InChIKey of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is XXOUUZHHDMZZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-9-8-6(10-11-14-8)5-12-4-2-3-7(12)13/h9H,2-5H2,1H3.
What are the key properties of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one?
1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 212.28 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 62208840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).