[4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine

C12H16N4OS — CID 62245263

IUPAC[4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCc1cc(C)c(C)c(OCc2nnsc2NN)c1
InChIInChI=1S/C12H16N4OS/c1-7-4-8(2)9(3)11(5-7)17-6-10-12(14-13)18-16-15-10/h4-5,14H,6,13H2,1-3H3
InChIKeyYSYOPRHMJQTQBR-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.33
Rot. Bonds4

About [4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine

[4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 62245263) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is [4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine
PubChem CID62245263
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name[4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCc1cc(C)c(C)c(OCc2nnsc2NN)c1
InChIInChI=1S/C12H16N4OS/c1-7-4-8(2)9(3)11(5-7)17-6-10-12(14-13)18-16-15-10/h4-5,14H,6,13H2,1-3H3
InChIKeyYSYOPRHMJQTQBR-UHFFFAOYSA-N
XLogP2.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62246934
[4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 107285504
[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244685
N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine
CID 62188547
[4-[(4-bromo-3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 83140831
[4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 104708258
[4-[(2-chlorophenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244126
[4-[(3-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245057
[4-[(4-methylsulfonylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244101
[4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 103202262
4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 62195666
4-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137911

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine (CID 62245263) is [4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine is Cc1cc(C)c(C)c(OCc2nnsc2NN)c1.
What is the InChIKey of [4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is YSYOPRHMJQTQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-4-8(2)9(3)11(5-7)17-6-10-12(14-13)18-16-15-10/h4-5,14H,6,13H2,1-3H3.
What are the key properties of [4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
[4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 264.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62245263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).