2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one

C7H8N6OS2 — CID 62251558

IUPAC2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNNc1snnc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C7H8N6OS2/c8-11-6-4(12-13-16-6)3-15-7-9-2-1-5(14)10-7/h1-2,11H,3,8H2,(H,9,10,14)
InChIKeyGFTOVRDUQPVCSQ-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.20
Rot. Bonds4

About 2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one

2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 62251558) has the molecular formula C7H8N6OS2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID62251558
Molecular FormulaC7H8N6OS2
Molecular Weight256.32 g/mol
Exact Mass256.02
IUPAC Name2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNNc1snnc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C7H8N6OS2/c8-11-6-4(12-13-16-6)3-15-7-9-2-1-5(14)10-7/h1-2,11H,3,8H2,(H,9,10,14)
InChIKeyGFTOVRDUQPVCSQ-UHFFFAOYSA-N
XLogP0.20
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one (CID 62251558) is 2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one is NNc1snnc1CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is GFTOVRDUQPVCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS2/c8-11-6-4(12-13-16-6)3-15-7-9-2-1-5(14)10-7/h1-2,11H,3,8H2,(H,9,10,14).
What are the key properties of 2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 256.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 62251558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).