1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one

C8H12N4OS — CID 79765687

IUPAC1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESNNc1ncc(CN2CCCC2=O)s1
InChIInChI=1S/C8H12N4OS/c9-11-8-10-4-6(14-8)5-12-3-1-2-7(12)13/h4H,1-3,5,9H2,(H,10,11)
InChIKeyQABMDZQMKRSUBD-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.55
Rot. Bonds3

About 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one

1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one (PubChem CID 79765687) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
PubChem CID79765687
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESNNc1ncc(CN2CCCC2=O)s1
InChIInChI=1S/C8H12N4OS/c9-11-8-10-4-6(14-8)5-12-3-1-2-7(12)13/h4H,1-3,5,9H2,(H,10,11)
InChIKeyQABMDZQMKRSUBD-UHFFFAOYSA-N
XLogP0.55
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one (CID 79765687) is 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one is NNc1ncc(CN2CCCC2=O)s1.
What is the InChIKey of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is QABMDZQMKRSUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c9-11-8-10-4-6(14-8)5-12-3-1-2-7(12)13/h4H,1-3,5,9H2,(H,10,11).
What are the key properties of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 212.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 79765687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).