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

C12H16N4O2S — CID 80613610

IUPAC[5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCCCOc1ccc(OCc2nnc(NN)s2)cc1
InChIInChI=1S/C12H16N4O2S/c1-2-7-17-9-3-5-10(6-4-9)18-8-11-15-16-12(14-13)19-11/h3-6H,2,7-8,13H2,1H3,(H,14,16)
InChIKeyGRAUOUOVVJWCJL-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.19
Rot. Bonds7

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

[5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80613610) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is [5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80613610
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name[5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCCCOc1ccc(OCc2nnc(NN)s2)cc1
InChIInChI=1S/C12H16N4O2S/c1-2-7-17-9-3-5-10(6-4-9)18-8-11-15-16-12(14-13)19-11/h3-6H,2,7-8,13H2,1H3,(H,14,16)
InChIKeyGRAUOUOVVJWCJL-UHFFFAOYSA-N
XLogP2.19
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.19
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-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-[(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
N-propyl-5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80613826
[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
[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
[5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613805
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791702
N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-[4-[2-[[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]phenoxy]acetamide
CID 11734868

Frequently Asked Questions

What is the IUPAC name of [5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 80613610) is [5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is CCCOc1ccc(OCc2nnc(NN)s2)cc1.
What is the InChIKey of [5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is GRAUOUOVVJWCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-7-17-9-3-5-10(6-4-9)18-8-11-15-16-12(14-13)19-11/h3-6H,2,7-8,13H2,1H3,(H,14,16).
What are the key properties of [5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 280.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80613610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).