(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride

C12H11ClN4S — CID 45263001

IUPAC(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride
SMILESCl.NNc1nnc(-c2cccc3ccccc23)s1
InChIInChI=1S/C12H10N4S.ClH/c13-14-12-16-15-11(17-12)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,13H2,(H,14,16);1H
InChIKeyFTZRXZBCZGFATQ-UHFFFAOYSA-N
MW278.77 g/mol
LogP3.07
Rot. Bonds2

About (5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride

(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride (PubChem CID 45263001) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is (5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride.

Molecular Properties

Compound Name(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride
PubChem CID45263001
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride
SMILESCl.NNc1nnc(-c2cccc3ccccc23)s1
InChIInChI=1S/C12H10N4S.ClH/c13-14-12-16-15-11(17-12)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,13H2,(H,14,16);1H
InChIKeyFTZRXZBCZGFATQ-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 53.07
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-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride?
The IUPAC name of (5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride (CID 45263001) is (5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride.
What is the SMILES notation for (5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride?
The canonical SMILES for (5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride is Cl.NNc1nnc(-c2cccc3ccccc23)s1.
What is the InChIKey of (5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride?
The InChIKey is FTZRXZBCZGFATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S.ClH/c13-14-12-16-15-11(17-12)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,13H2,(H,14,16);1H.
What are the key properties of (5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride?
(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride has a molecular weight of 278.77 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride is sourced from PubChem (CID 45263001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).