N2-(2-Dimethylamino-ethyl)-N2-methyl-benzothiazole-2,6-diamine

HCID 55226563

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CN(C)CCN(C)c1nc2ccc(N)cc2s1
InChIKey: FBXBOUVPPFDYKE-UHFFFAOYSA-N
Molecular formula: C12H18N4S
Average molar mass: 250.37 g/mol
Monoisotopic mass: 250.12521776

Names & identifiers

Preferred name: N2-(2-Dimethylamino-ethyl)-N2-methyl-benzothiazole-2,6-diamine
IUPAC: 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine

Names & synonyms

SCHEMBL3752321FBXBOUVPPFDYKE-UHFFFAOYSA-NAKOS006247570N2-(2-Dimethylamino-ethyl)-N2-methyl-benzothiazole-2,6-diamineN*2*-(2-dimethylamino-ethyl)-N*2*-methyl-benzothiazole-2,6-diamine

Database identifiers

PubChem CID: 55226563

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 73.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 249

Related reactions

21 records

New reaction record

HRID 155555As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 282218As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 684793As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1174907As productuspto-grants-2010_11

HRID 1174908As reactantuspto-grants-2010_11

HRID 1174909As reactantuspto-grants-2010_11

HRID 1174910As reactantuspto-grants-2010_11

HRID 1174965As reactantuspto-grants-2010_11

Compound notes

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