(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine

C8H9N3S — CID 14319

IUPAC(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
SMILESCn1c(=NN)sc2ccccc21
InChIInChI=1S/C8H9N3S/c1-11-6-4-2-3-5-7(6)12-8(11)10-9/h2-5H,9H2,1H3
InChIKeyPHOLIFLKGONSGY-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.01
Rot. Bonds

About (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine

(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine (PubChem CID 14319) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine.

Molecular Properties

Compound Name(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
PubChem CID14319
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
SMILESCn1c(=NN)sc2ccccc21
InChIInChI=1S/C8H9N3S/c1-11-6-4-2-3-5-7(6)12-8(11)10-9/h2-5H,9H2,1H3
InChIKeyPHOLIFLKGONSGY-UHFFFAOYSA-N
XLogP1.01
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.01
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 (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine?
The IUPAC name of (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine (CID 14319) is (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine.
What is the SMILES notation for (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine?
The canonical SMILES for (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine is Cn1c(=NN)sc2ccccc21.
What is the InChIKey of (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine?
The InChIKey is PHOLIFLKGONSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-11-6-4-2-3-5-7(6)12-8(11)10-9/h2-5H,9H2,1H3.
What are the key properties of (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine?
(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine has a molecular weight of 179.25 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine is sourced from PubChem (CID 14319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).