2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol

C10H10N4O2S — CID 165345373

IUPAC2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol
SMILESCOc1cc(/N=N/c2nc(C)ns2)ccc1O
InChIInChI=1S/C10H10N4O2S/c1-6-11-10(17-14-6)13-12-7-3-4-8(15)9(5-7)16-2/h3-5,15H,1-2H3/b13-12+
InChIKeyVENFADLBEAKLRQ-OUKQBFOZSA-N
MW250.28 g/mol
LogP2.98
Rot. Bonds3

About 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol

2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol (PubChem CID 165345373) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol
PubChem CID165345373
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol
SMILESCOc1cc(/N=N/c2nc(C)ns2)ccc1O
InChIInChI=1S/C10H10N4O2S/c1-6-11-10(17-14-6)13-12-7-3-4-8(15)9(5-7)16-2/h3-5,15H,1-2H3/b13-12+
InChIKeyVENFADLBEAKLRQ-OUKQBFOZSA-N
XLogP2.98
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol?
The IUPAC name of 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol (CID 165345373) is 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol?
The canonical SMILES for 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol is COc1cc(/N=N/c2nc(C)ns2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol?
The InChIKey is VENFADLBEAKLRQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-11-10(17-14-6)13-12-7-3-4-8(15)9(5-7)16-2/h3-5,15H,1-2H3/b13-12+.
What are the key properties of 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol?
2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol has a molecular weight of 250.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]phenol is sourced from PubChem (CID 165345373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).