[5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine

C14H20N4O2S — CID 80601996

IUPAC[5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCOc1ccc(OCc2nnc(NN)s2)c(C(C)(C)C)c1
InChIInChI=1S/C14H20N4O2S/c1-14(2,3)10-7-9(19-4)5-6-11(10)20-8-12-17-18-13(16-15)21-12/h5-7H,8,15H2,1-4H3,(H,16,18)
InChIKeyIYSGYFFRKAJUQJ-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.71
Rot. Bonds5

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

[5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80601996) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is [5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80601996
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name[5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCOc1ccc(OCc2nnc(NN)s2)c(C(C)(C)C)c1
InChIInChI=1S/C14H20N4O2S/c1-14(2,3)10-7-9(19-4)5-6-11(10)20-8-12-17-18-13(16-15)21-12/h5-7H,8,15H2,1-4H3,(H,16,18)
InChIKeyIYSGYFFRKAJUQJ-UHFFFAOYSA-N
XLogP2.71
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
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 [5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-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

[5-[(4-methoxy-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613395
[5-[(4-methoxy-3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 103202266
[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614010
5-[(2,4-ditert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 7139278
[5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614106
[5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613610
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423
5-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607865
[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613611
[5-[(4-fluoro-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614218
[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613704

Frequently Asked Questions

What is the IUPAC name of [5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 80601996) is [5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is COc1ccc(OCc2nnc(NN)s2)c(C(C)(C)C)c1.
What is the InChIKey of [5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is IYSGYFFRKAJUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-14(2,3)10-7-9(19-4)5-6-11(10)20-8-12-17-18-13(16-15)21-12/h5-7H,8,15H2,1-4H3,(H,16,18).
What are the key properties of [5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 308.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80601996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).