[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine

C10H12N4OS — CID 62244685

IUPAC[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCc1cccc(OCc2nnsc2NN)c1
InChIInChI=1S/C10H12N4OS/c1-7-3-2-4-8(5-7)15-6-9-10(12-11)16-14-13-9/h2-5,12H,6,11H2,1H3
InChIKeyPBUHBKZJPCUOPH-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.71
Rot. Bonds4

About [4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine

[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 62244685) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is [4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
PubChem CID62244685
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCc1cccc(OCc2nnsc2NN)c1
InChIInChI=1S/C10H12N4OS/c1-7-3-2-4-8(5-7)15-6-9-10(12-11)16-14-13-9/h2-5,12H,6,11H2,1H3
InChIKeyPBUHBKZJPCUOPH-UHFFFAOYSA-N
XLogP1.71
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.71
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-[(3-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245057
[4-[(4-bromo-3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 83140831
[4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62246934
[4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 63648232
[4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245263
4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine
CID 62195346
N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 62195635
[4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 103202262
4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 55045166
3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole
CID 64764360
4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine
CID 63985599
N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 112519497

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine (CID 62244685) is [4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine is Cc1cccc(OCc2nnsc2NN)c1.
What is the InChIKey of [4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is PBUHBKZJPCUOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-7-3-2-4-8(5-7)15-6-9-10(12-11)16-14-13-9/h2-5,12H,6,11H2,1H3.
What are the key properties of [4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 236.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62244685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).