[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine

C9H10N4S — CID 14091195

IUPAC[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCc1cccc(-c2nnc(NN)s2)c1
InChIInChI=1S/C9H10N4S/c1-6-3-2-4-7(5-6)8-12-13-9(11-10)14-8/h2-5H,10H2,1H3,(H,11,13)
InChIKeyMIQAWLXJFRTYPP-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.80
Rot. Bonds2

About [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine

[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 14091195) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID14091195
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCc1cccc(-c2nnc(NN)s2)c1
InChIInChI=1S/C9H10N4S/c1-6-3-2-4-7(5-6)8-12-13-9(11-10)14-8/h2-5H,10H2,1H3,(H,11,13)
InChIKeyMIQAWLXJFRTYPP-UHFFFAOYSA-N
XLogP1.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.80
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 [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine (CID 14091195) is [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine is Cc1cccc(-c2nnc(NN)s2)c1.
What is the InChIKey of [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is MIQAWLXJFRTYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-6-3-2-4-7(5-6)8-12-13-9(11-10)14-8/h2-5H,10H2,1H3,(H,11,13).
What are the key properties of [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine?
[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 206.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 14091195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).