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

C8H8Cl2N4S — CID 45265519

IUPAC[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
SMILESCl.NNc1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C8H7ClN4S.ClH/c9-6-3-1-2-5(4-6)7-12-13-8(11-10)14-7;/h1-4H,10H2,(H,11,13);1H
InChIKeyLZEUNMNPTWRFDR-UHFFFAOYSA-N
MW263.15 g/mol
LogP2.57
Rot. Bonds2

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

[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride (PubChem CID 45265519) has the molecular formula C8H8Cl2N4S and a molecular weight of 263.15 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
PubChem CID45265519
Molecular FormulaC8H8Cl2N4S
Molecular Weight263.15 g/mol
Exact Mass261.98
IUPAC Name[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
SMILESCl.NNc1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C8H7ClN4S.ClH/c9-6-3-1-2-5(4-6)7-12-13-8(11-10)14-7;/h1-4H,10H2,(H,11,13);1H
InChIKeyLZEUNMNPTWRFDR-UHFFFAOYSA-N
XLogP2.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.15
LogP ≤ 52.57
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

[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45263058
[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091195
5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 121006251
[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091198
5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 91620777
5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 68801294
2-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine
CID 14140336
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119745185
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 119745197
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729813
4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide
CID 120589978
(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride
CID 45263024

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The IUPAC name of [5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride (CID 45265519) is [5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride.
What is the SMILES notation for [5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The canonical SMILES for [5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride is Cl.NNc1nnc(-c2cccc(Cl)c2)s1.
What is the InChIKey of [5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The InChIKey is LZEUNMNPTWRFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S.ClH/c9-6-3-1-2-5(4-6)7-12-13-8(11-10)14-7;/h1-4H,10H2,(H,11,13);1H.
What are the key properties of [5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride has a molecular weight of 263.15 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride is sourced from PubChem (CID 45265519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).