6-(4-Methoxyanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione

HCID 511630

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Basic information

CAS: 650635-79-3
Standard SMILES: COc1ccc(NC2=C(C)C(=O)c3nc(C)sc3C2=O)cc1
InChIKey: ITRWKRMWNIHFMQ-UHFFFAOYSA-N
Molecular formula: C16H14N2O3S
Average molar mass: 314.4 g/mol
Monoisotopic mass: 314.07251349

Names & identifiers

Preferred name: 6-(4-Methoxyanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
IUPAC: 6-(4-methoxyanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione

Names & synonyms

6-(4-methoxyanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione650635-79-3DTXSID403335416-[N-(4-Methoxyphenyl)amino]-2,5-dimethyl-4,7-dioxobenzothiazole

Database identifiers

CAS: 650635-79-3
PubChem CID: 511630
DTXSID: DTXSID40333541

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 96.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 512

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