(2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol

C8H9N3OS — CID 6887910

IUPAC(2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol
SMILESCn1/c(=N/N)sc2cc(O)ccc21
InChIInChI=1S/C8H9N3OS/c1-11-6-3-2-5(12)4-7(6)13-8(11)10-9/h2-4,12H,9H2,1H3/b10-8-
InChIKeyOHHOZXUDUWERHN-NTMALXAHSA-N
MW195.25 g/mol
LogP0.72
Rot. Bonds

About (2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol

(2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol (PubChem CID 6887910) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is (2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name(2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol
PubChem CID6887910
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name(2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol
SMILESCn1/c(=N/N)sc2cc(O)ccc21
InChIInChI=1S/C8H9N3OS/c1-11-6-3-2-5(12)4-7(6)13-8(11)10-9/h2-4,12H,9H2,1H3/b10-8-
InChIKeyOHHOZXUDUWERHN-NTMALXAHSA-N
XLogP0.72
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.72
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 (2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol?
The IUPAC name of (2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol (CID 6887910) is (2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol.
What is the SMILES notation for (2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol?
The canonical SMILES for (2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol is Cn1/c(=N/N)sc2cc(O)ccc21.
What is the InChIKey of (2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol?
The InChIKey is OHHOZXUDUWERHN-NTMALXAHSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-11-6-3-2-5(12)4-7(6)13-8(11)10-9/h2-4,12H,9H2,1H3/b10-8-.
What are the key properties of (2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol?
(2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol has a molecular weight of 195.25 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydrazinylidene-3-methyl-1,3-benzothiazol-6-ol is sourced from PubChem (CID 6887910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).