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

C7H10N4OS — CID 62207970

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one
SMILESNc1snnc1CN1CCCC1=O
InChIInChI=1S/C7H10N4OS/c8-7-5(9-10-13-7)4-11-3-1-2-6(11)12/h1-4,8H2
InChIKeyALYPTZGMBLLSBD-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.24
Rot. Bonds2

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

1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 62207970) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID62207970
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one
SMILESNc1snnc1CN1CCCC1=O
InChIInChI=1S/C7H10N4OS/c8-7-5(9-10-13-7)4-11-3-1-2-6(11)12/h1-4,8H2
InChIKeyALYPTZGMBLLSBD-UHFFFAOYSA-N
XLogP0.24
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one (CID 62207970) is 1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one is Nc1snnc1CN1CCCC1=O.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is ALYPTZGMBLLSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c8-7-5(9-10-13-7)4-11-3-1-2-6(11)12/h1-4,8H2.
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one?
1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 198.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 62207970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).