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

C8H9N3S — CID 5359575

IUPAC(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
SMILESCn1/c(=N\N)sc2ccccc21
InChIInChI=1S/C8H9N3S/c1-11-6-4-2-3-5-7(6)12-8(11)10-9/h2-5H,9H2,1H3/b10-8+
InChIKeyPHOLIFLKGONSGY-CSKARUKUSA-N
MW179.25 g/mol
LogP1.01
Rot. Bonds

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

(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine (PubChem CID 5359575) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is (E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine.

Molecular Properties

Compound Name(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
PubChem CID5359575
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
SMILESCn1/c(=N\N)sc2ccccc21
InChIInChI=1S/C8H9N3S/c1-11-6-4-2-3-5-7(6)12-8(11)10-9/h2-5H,9H2,1H3/b10-8+
InChIKeyPHOLIFLKGONSGY-CSKARUKUSA-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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Related Compounds

3-Methylbenzothiazole-2(3H)-thione
CID 75264
s-Triazolo(3,4-b)benzothiazole-3-thiol
CID 692277
N'-[(2E)-3-methyl-1,3-benzothiazol-2(3H)-ylidene]acetohydrazide
CID 6089291
3-Methyl-2-benzothiazolone hydrazone hydrochloride
CID 9575839
3-methylbenzothiazol-2(3H)-one hydrazone
CID 14319
3-Methyl-2-benzothiazolinone hydrazone hydrochloride
CID 78041
3-Methyl-1,3-benzothiazol-2(3H)-imine
CID 84642
1-(3-Methyl-3H-benzothiazol-2-ylidene)-propane-2-thione
CID 721517
[3-Phenyl-3H-benzothiazol-(2Z)-ylidene]-hydrazine
CID 56642950
2(3H)-Benzothiazolone, 3-methyl-
CID 76031
3-Methyl-2-benzothiazolone hydrazone
CID 5782694
(NE)-N-[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]hydroxylamine
CID 5405669

Frequently Asked Questions

What is the IUPAC name of (E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine?
The IUPAC name of (E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine (CID 5359575) is (E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine.
What is the SMILES notation for (E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine?
The canonical SMILES for (E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine is Cn1/c(=N\N)sc2ccccc21.
What is the InChIKey of (E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine?
The InChIKey is PHOLIFLKGONSGY-CSKARUKUSA-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/b10-8+.
What are the key properties of (E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine?
(E)-(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 (E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine is sourced from PubChem (CID 5359575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).