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

C10H13ClN4S — CID 21326079

IUPAC[5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
SMILESCCc1ccccc1-c1nnc(NN)s1.Cl
InChIInChI=1S/C10H12N4S.ClH/c1-2-7-5-3-4-6-8(7)9-13-14-10(12-11)15-9;/h3-6H,2,11H2,1H3,(H,12,14);1H
InChIKeyUGDJEXRGZKPRFH-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.47
Rot. Bonds3

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

[5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride (PubChem CID 21326079) has the molecular formula C10H13ClN4S and a molecular weight of 256.76 g/mol. Its IUPAC name is [5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
PubChem CID21326079
Molecular FormulaC10H13ClN4S
Molecular Weight256.76 g/mol
Exact Mass256.05
IUPAC Name[5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
SMILESCCc1ccccc1-c1nnc(NN)s1.Cl
InChIInChI=1S/C10H12N4S.ClH/c1-2-7-5-3-4-6-8(7)9-13-14-10(12-11)15-9;/h3-6H,2,11H2,1H3,(H,12,14);1H
InChIKeyUGDJEXRGZKPRFH-UHFFFAOYSA-N
XLogP2.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.47
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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Related Compounds

2-Amino-5-phenyl-1,3,4-thiadiazole
CID 219408
5-(3-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 848588
2-Amino-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 605582
5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 879437
2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 554208
5-(4-tert-Butylphenyl)-1,3,4-thiadiazol-2-amine
CID 811160
5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine
CID 3093785
5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 554209
5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine
CID 590957
N-(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamide
CID 44571849
1,3,4-Thiadiazol-2(3H)-one, 5-(2-methylphenyl)-, hydrazone, monohydrochloride
CID 3050131
1,3,4-Thiadiazole, 2-amino-5-(o-tolyl)-, hydrochloride
CID 11971460

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The IUPAC name of [5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride (CID 21326079) is [5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride.
What is the SMILES notation for [5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The canonical SMILES for [5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride is CCc1ccccc1-c1nnc(NN)s1.Cl.
What is the InChIKey of [5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The InChIKey is UGDJEXRGZKPRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S.ClH/c1-2-7-5-3-4-6-8(7)9-13-14-10(12-11)15-9;/h3-6H,2,11H2,1H3,(H,12,14);1H.
What are the key properties of [5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
[5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride has a molecular weight of 256.76 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride is sourced from PubChem (CID 21326079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).