[5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine

C9H12N4OS2 — CID 80613805

IUPAC[5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(COCCc2cccs2)s1
InChIInChI=1S/C9H12N4OS2/c10-11-9-13-12-8(16-9)6-14-4-3-7-2-1-5-15-7/h1-2,5H,3-4,6,10H2,(H,11,13)
InChIKeyDEGJZOZCODHFEX-UHFFFAOYSA-N
MW256.36 g/mol
LogP1.64
Rot. Bonds6

About [5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine

[5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80613805) has the molecular formula C9H12N4OS2 and a molecular weight of 256.36 g/mol. Its IUPAC name is [5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80613805
Molecular FormulaC9H12N4OS2
Molecular Weight256.36 g/mol
Exact Mass256.05
IUPAC Name[5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(COCCc2cccs2)s1
InChIInChI=1S/C9H12N4OS2/c10-11-9-13-12-8(16-9)6-14-4-3-7-2-1-5-15-7/h1-2,5H,3-4,6,10H2,(H,11,13)
InChIKeyDEGJZOZCODHFEX-UHFFFAOYSA-N
XLogP1.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 80614574
[2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine
CID 79259758
N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80614537
2-(2-thiophen-2-ylethoxy)acetohydrazide
CID 63571119
[6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine
CID 80655293
[5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 82831907
[5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613610
[5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614106
2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
CID 19099065
[5-(1,3-benzodioxol-5-ylmethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614802
[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613704
5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115910533

Frequently Asked Questions

What is the IUPAC name of [5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine (CID 80613805) is [5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(COCCc2cccs2)s1.
What is the InChIKey of [5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is DEGJZOZCODHFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS2/c10-11-9-13-12-8(16-9)6-14-4-3-7-2-1-5-15-7/h1-2,5H,3-4,6,10H2,(H,11,13).
What are the key properties of [5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
[5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 256.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80613805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).