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

C11H14N4S2 — CID 80614812

IUPAC[5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCc1ccc(SCc2nnc(NN)s2)cc1C
InChIInChI=1S/C11H14N4S2/c1-7-3-4-9(5-8(7)2)16-6-10-14-15-11(13-12)17-10/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyZPNRKTBNAVIYGE-UHFFFAOYSA-N
MW266.40 g/mol
LogP2.73
Rot. Bonds4

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

[5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80614812) has the molecular formula C11H14N4S2 and a molecular weight of 266.40 g/mol. Its IUPAC name is [5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80614812
Molecular FormulaC11H14N4S2
Molecular Weight266.40 g/mol
Exact Mass266.07
IUPAC Name[5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCc1ccc(SCc2nnc(NN)s2)cc1C
InChIInChI=1S/C11H14N4S2/c1-7-3-4-9(5-8(7)2)16-6-10-14-15-11(13-12)17-10/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyZPNRKTBNAVIYGE-UHFFFAOYSA-N
XLogP2.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 80614812) is [5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine is Cc1ccc(SCc2nnc(NN)s2)cc1C.
What is the InChIKey of [5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is ZPNRKTBNAVIYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-7-3-4-9(5-8(7)2)16-6-10-14-15-11(13-12)17-10/h3-5H,6,12H2,1-2H3,(H,13,15).
What are the key properties of [5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 266.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80614812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).