N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine

C10H12N4S — CID 19154623

IUPACN-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCC/N=N/Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C10H12N4S/c1-3-11-14-13-8-4-5-9-10(6-8)15-7(2)12-9/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyZIKPJWCXJQBUGM-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.40
Rot. Bonds3

About N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine

N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 19154623) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID19154623
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC NameN-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCC/N=N/Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C10H12N4S/c1-3-11-14-13-8-4-5-9-10(6-8)15-7(2)12-9/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyZIKPJWCXJQBUGM-UHFFFAOYSA-N
XLogP3.40
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-octyl-1,3-benzothiazol-6-amine
CID 43682586
2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
CID 103388112
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
N-[(3,4-difluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43231098
N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43231044
N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 66387136
3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
CID 43682648
N-[(4-bromo-3-fluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 81437224
2-methyl-6-(sulfinatoamino)-1,3-benzothiazole
CID 20746267
2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 43682641
N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 102909567
2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride
CID 119677119

Frequently Asked Questions

What is the IUPAC name of N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine (CID 19154623) is N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine is CC/N=N/Nc1ccc2nc(C)sc2c1.
What is the InChIKey of N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is ZIKPJWCXJQBUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-3-11-14-13-8-4-5-9-10(6-8)15-7(2)12-9/h4-6H,3H2,1-2H3,(H,11,13).
What are the key properties of N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine?
N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 220.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 19154623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).