[5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine

C11H14N4O2S — CID 80614512

IUPAC[5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCCOc1ccc(OCc2nnc(NN)s2)cc1
InChIInChI=1S/C11H14N4O2S/c1-2-16-8-3-5-9(6-4-8)17-7-10-14-15-11(13-12)18-10/h3-6H,2,7,12H2,1H3,(H,13,15)
InChIKeyNCAKSEKTDAUDDP-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.80
Rot. Bonds6

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

[5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80614512) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is [5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80614512
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name[5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCCOc1ccc(OCc2nnc(NN)s2)cc1
InChIInChI=1S/C11H14N4O2S/c1-2-16-8-3-5-9(6-4-8)17-7-10-14-15-11(13-12)18-10/h3-6H,2,7,12H2,1H3,(H,13,15)
InChIKeyNCAKSEKTDAUDDP-UHFFFAOYSA-N
XLogP1.80
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.80
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'}

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Related Compounds

[5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613610
[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613611
[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613704
5-[(4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607851
5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 98017566
[5-[(4-methoxy-3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 103202266
[5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80601996
N-propyl-5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80613826
[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614010
[5-[(4-methoxy-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613395
2-ethoxy-5-[(4-phenoxyphenoxy)methyl]-1,3,4-thiadiazole
CID 14230924
3-(4-ethoxyphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19226109

Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 80614512) is [5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is CCOc1ccc(OCc2nnc(NN)s2)cc1.
What is the InChIKey of [5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is NCAKSEKTDAUDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-16-8-3-5-9(6-4-8)17-7-10-14-15-11(13-12)18-10/h3-6H,2,7,12H2,1H3,(H,13,15).
What are the key properties of [5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 266.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80614512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).