[4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine

C14H20N4OS — CID 62246934

IUPAC[4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCc1ccc(C(C)(C)C)c(OCc2nnsc2NN)c1
InChIInChI=1S/C14H20N4OS/c1-9-5-6-10(14(2,3)4)12(7-9)19-8-11-13(16-15)20-18-17-11/h5-7,16H,8,15H2,1-4H3
InChIKeyIEAKQOAQYMIIPT-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.01
Rot. Bonds4

About [4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine

[4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 62246934) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is [4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
PubChem CID62246934
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name[4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCc1ccc(C(C)(C)C)c(OCc2nnsc2NN)c1
InChIInChI=1S/C14H20N4OS/c1-9-5-6-10(14(2,3)4)12(7-9)19-8-11-13(16-15)20-18-17-11/h5-7,16H,8,15H2,1-4H3
InChIKeyIEAKQOAQYMIIPT-UHFFFAOYSA-N
XLogP3.01
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of [4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine (CID 62246934) is [4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine is Cc1ccc(C(C)(C)C)c(OCc2nnsc2NN)c1.
What is the InChIKey of [4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is IEAKQOAQYMIIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9-5-6-10(14(2,3)4)12(7-9)19-8-11-13(16-15)20-18-17-11/h5-7,16H,8,15H2,1-4H3.
What are the key properties of [4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
[4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 292.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62246934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).