[5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine

C10H12N4OS2 — CID 80625048

IUPAC[5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCOc1ccccc1SCc1nnc(NN)s1
InChIInChI=1S/C10H12N4OS2/c1-15-7-4-2-3-5-8(7)16-6-9-13-14-10(12-11)17-9/h2-5H,6,11H2,1H3,(H,12,14)
InChIKeyWZWYLTZDSBDBEQ-UHFFFAOYSA-N
MW268.37 g/mol
LogP2.12
Rot. Bonds5

About [5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine

[5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80625048) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is [5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80625048
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name[5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCOc1ccccc1SCc1nnc(NN)s1
InChIInChI=1S/C10H12N4OS2/c1-15-7-4-2-3-5-8(7)16-6-9-13-14-10(12-11)17-9/h2-5H,6,11H2,1H3,(H,12,14)
InChIKeyWZWYLTZDSBDBEQ-UHFFFAOYSA-N
XLogP2.12
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 52.12
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

2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]phenol
CID 80625304
[5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614812
1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea
CID 1385139
[5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614715
[5-[(2-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62250828
1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene
CID 60593855
1-(1,1-dideuterio(113C)ethylsulfanyl)-2-methoxybenzene
CID 58500338
2-(2-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3388491
[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 102925881
4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 62188803
[5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80625386
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 847029

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 80625048) is [5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine is COc1ccccc1SCc1nnc(NN)s1.
What is the InChIKey of [5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is WZWYLTZDSBDBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-15-7-4-2-3-5-8(7)16-6-9-13-14-10(12-11)17-9/h2-5H,6,11H2,1H3,(H,12,14).
What are the key properties of [5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 268.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methoxyphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80625048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).