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

C9H10N4S — CID 19154621

IUPAC6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine
SMILESC/N=N/Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C9H10N4S/c1-6-3-4-7-8(5-6)14-9(11-7)12-13-10-2/h3-5H,1-2H3,(H,10,11,12)
InChIKeyWMCPLLHGENAKNS-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.01
Rot. Bonds2

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

6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine (PubChem CID 19154621) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine
PubChem CID19154621
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine
SMILESC/N=N/Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C9H10N4S/c1-6-3-4-7-8(5-6)14-9(11-7)12-13-10-2/h3-5H,1-2H3,(H,10,11,12)
InChIKeyWMCPLLHGENAKNS-UHFFFAOYSA-N
XLogP3.01
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 53.01
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

6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine
CID 91970272
N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide
CID 20696220
[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid
CID 23933114
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906848

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine (CID 19154621) is 6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine is C/N=N/Nc1nc2ccc(C)cc2s1.
What is the InChIKey of 6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine?
The InChIKey is WMCPLLHGENAKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-6-3-4-7-8(5-6)14-9(11-7)12-13-10-2/h3-5H,1-2H3,(H,10,11,12).
What are the key properties of 6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine?
6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine has a molecular weight of 206.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 19154621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).