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

C12H16N4S — CID 14091201

IUPAC[5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCC(C)(C)c1ccccc1-c1nnc(NN)s1
InChIInChI=1S/C12H16N4S/c1-12(2,3)9-7-5-4-6-8(9)10-15-16-11(14-13)17-10/h4-7H,13H2,1-3H3,(H,14,16)
InChIKeyLBLHDZZAKNWHAL-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.79
Rot. Bonds2

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

[5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 14091201) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is [5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID14091201
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name[5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCC(C)(C)c1ccccc1-c1nnc(NN)s1
InChIInChI=1S/C12H16N4S/c1-12(2,3)9-7-5-4-6-8(9)10-15-16-11(14-13)17-10/h4-7H,13H2,1-3H3,(H,14,16)
InChIKeyLBLHDZZAKNWHAL-UHFFFAOYSA-N
XLogP2.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.79
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'}

Analyze [5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine with MolForge

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

Launch Full Analysis

Related Compounds

2-Amino-5-phenyl-1,3,4-thiadiazole
CID 219408
2-Amino-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 605582
5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 879437
5-(4-tert-Butylphenyl)-1,3,4-thiadiazol-2-amine
CID 811160
5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine
CID 3093785
5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine
CID 590957
1,3,4-Thiadiazol-2(3H)-one, 5-(2-methylphenyl)-, hydrazone, monohydrochloride
CID 3050131
1,3,4-Thiadiazole, 2-amino-5-(o-tolyl)-, hydrochloride
CID 11971460
5-(3,4-Dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 744074
5-(2-Methylphenyl)-1,3,4-thiadiazol-2-amine
CID 590958
5-(4-Phenylphenyl)-1,3,4-thiadiazol-2-amine
CID 3734655
5-(2-(Trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-amine
CID 13949116

Frequently Asked Questions

What is the IUPAC name of [5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine (CID 14091201) is [5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine is CC(C)(C)c1ccccc1-c1nnc(NN)s1.
What is the InChIKey of [5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is LBLHDZZAKNWHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-12(2,3)9-7-5-4-6-8(9)10-15-16-11(14-13)17-10/h4-7H,13H2,1-3H3,(H,14,16).
What are the key properties of [5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine?
[5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 248.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 14091201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).