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

C11H14N4OS — CID 80613704

IUPAC[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCCc1cccc(OCc2nnc(NN)s2)c1
InChIInChI=1S/C11H14N4OS/c1-2-8-4-3-5-9(6-8)16-7-10-14-15-11(13-12)17-10/h3-6H,2,7,12H2,1H3,(H,13,15)
InChIKeyDADLSTDVHSTVFE-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.97
Rot. Bonds5

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

[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80613704) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is [5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80613704
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCCc1cccc(OCc2nnc(NN)s2)c1
InChIInChI=1S/C11H14N4OS/c1-2-8-4-3-5-9(6-8)16-7-10-14-15-11(13-12)17-10/h3-6H,2,7,12H2,1H3,(H,13,15)
InChIKeyDADLSTDVHSTVFE-UHFFFAOYSA-N
XLogP1.97
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.97
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

[5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614106
[5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614512
[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613611
[5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613610
4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428920
[5-[(4-methoxy-3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 103202266
N-ethyl-5-[(3-methylsulfonylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80614228
N-[[2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82422876
3-bromo-2-[(3-ethylphenoxy)methyl]thiophene
CID 63457538
N-ethyl-5-[(3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80608036
5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774113
[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436502

Frequently Asked Questions

What is the IUPAC name of [5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 80613704) is [5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is CCc1cccc(OCc2nnc(NN)s2)c1.
What is the InChIKey of [5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is DADLSTDVHSTVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-8-4-3-5-9(6-8)16-7-10-14-15-11(13-12)17-10/h3-6H,2,7,12H2,1H3,(H,13,15).
What are the key properties of [5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 250.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80613704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).