2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol

C9H10N4OS2 — CID 80625304

IUPAC2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol
SMILESNNc1nnc(CSc2ccccc2O)s1
InChIInChI=1S/C9H10N4OS2/c10-11-9-13-12-8(16-9)5-15-7-4-2-1-3-6(7)14/h1-4,14H,5,10H2,(H,11,13)
InChIKeyZYDVTKGDNKRBNJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.82
Rot. Bonds4

About 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol

2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol (PubChem CID 80625304) has the molecular formula C9H10N4OS2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol
PubChem CID80625304
Molecular FormulaC9H10N4OS2
Molecular Weight254.34 g/mol
Exact Mass254.03
IUPAC Name2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol
SMILESNNc1nnc(CSc2ccccc2O)s1
InChIInChI=1S/C9H10N4OS2/c10-11-9-13-12-8(16-9)5-15-7-4-2-1-3-6(7)14/h1-4,14H,5,10H2,(H,11,13)
InChIKeyZYDVTKGDNKRBNJ-UHFFFAOYSA-N
XLogP1.82
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol 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-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol?
The IUPAC name of 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol (CID 80625304) is 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol.
What is the SMILES notation for 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol?
The canonical SMILES for 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol is NNc1nnc(CSc2ccccc2O)s1.
What is the InChIKey of 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol?
The InChIKey is ZYDVTKGDNKRBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS2/c10-11-9-13-12-8(16-9)5-15-7-4-2-1-3-6(7)14/h1-4,14H,5,10H2,(H,11,13).
What are the key properties of 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol?
2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol has a molecular weight of 254.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol is sourced from PubChem (CID 80625304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).