(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride

C8H12ClN3OS — CID 6364530

IUPAC(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride
SMILESCl.Cn1/c(=N/N)sc2ccccc21.O
InChIInChI=1S/C8H9N3S.ClH.H2O/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;;/h2-5H,9H2,1H3;1H;1H2/b10-8-;;
InChIKeyIYXXQOGEFHAQGU-GPWRMYTLSA-N
MW233.72 g/mol
LogP0.61
Rot. Bonds

About (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride

(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride (PubChem CID 6364530) has the molecular formula C8H12ClN3OS and a molecular weight of 233.72 g/mol. Its IUPAC name is (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride.

Molecular Properties

Compound Name(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride
PubChem CID6364530
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC Name(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride
SMILESCl.Cn1/c(=N/N)sc2ccccc21.O
InChIInChI=1S/C8H9N3S.ClH.H2O/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;;/h2-5H,9H2,1H3;1H;1H2/b10-8-;;
InChIKeyIYXXQOGEFHAQGU-GPWRMYTLSA-N
XLogP0.61
TPSA74.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride?
The IUPAC name of (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride (CID 6364530) is (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride.
What is the SMILES notation for (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride?
The canonical SMILES for (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride is Cl.Cn1/c(=N/N)sc2ccccc21.O.
What is the InChIKey of (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride?
The InChIKey is IYXXQOGEFHAQGU-GPWRMYTLSA-N. The full InChI is InChI=1S/C8H9N3S.ClH.H2O/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;;/h2-5H,9H2,1H3;1H;1H2/b10-8-;;.
What are the key properties of (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride?
(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride has a molecular weight of 233.72 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride is sourced from PubChem (CID 6364530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).