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

C10H13ClN4S — CID 21326067

IUPAC[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
SMILESCc1cccc(-c2nnc(NN)s2)c1C.Cl
InChIInChI=1S/C10H12N4S.ClH/c1-6-4-3-5-8(7(6)2)9-13-14-10(12-11)15-9;/h3-5H,11H2,1-2H3,(H,12,14);1H
InChIKeyDNWZNNBCFVHEKV-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.53
Rot. Bonds2

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

[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride (PubChem CID 21326067) has the molecular formula C10H13ClN4S and a molecular weight of 256.76 g/mol. Its IUPAC name is [5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
PubChem CID21326067
Molecular FormulaC10H13ClN4S
Molecular Weight256.76 g/mol
Exact Mass256.05
IUPAC Name[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
SMILESCc1cccc(-c2nnc(NN)s2)c1C.Cl
InChIInChI=1S/C10H12N4S.ClH/c1-6-4-3-5-8(7(6)2)9-13-14-10(12-11)15-9;/h3-5H,11H2,1-2H3,(H,12,14);1H
InChIKeyDNWZNNBCFVHEKV-UHFFFAOYSA-N
XLogP2.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The IUPAC name of [5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride (CID 21326067) is [5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride.
What is the SMILES notation for [5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The canonical SMILES for [5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride is Cc1cccc(-c2nnc(NN)s2)c1C.Cl.
What is the InChIKey of [5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The InChIKey is DNWZNNBCFVHEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S.ClH/c1-6-4-3-5-8(7(6)2)9-13-14-10(12-11)15-9;/h3-5H,11H2,1-2H3,(H,12,14);1H.
What are the key properties of [5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride has a molecular weight of 256.76 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride is sourced from PubChem (CID 21326067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).