Basic information
- Standard SMILES
COc1ccc2nc(-c3ccc(N)cc3)sc2c1- InChIKey
KLRFVKNLVPQVIN-UHFFFAOYSA-N- Molecular formula
- C14H12N2OS
- Average molar mass
- 256.32 g/mol
Names & identifiers
- Preferred name
- 4-(6-Methoxy-1,3-benzothiazol-2-yl)aniline
- IUPAC
- 4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
Names & synonyms
6-MEO-BTA-043036-17-54-(6-methoxy-1,3-benzothiazol-2-yl)aniline2-(4-Aminophenyl)-6-methoxybenzothiazole4-(6-Methoxybenzo[d]thiazol-2-yl)anilineCHEMBL923902-(4'-Aminophenyl)-6-methoxybenzothiazole4-(6-Methoxy-benzothiazol-2-yl)-phenylamineNSC691533SCHEMBL1977100KLRFVKNLVPQVIN-UHFFFAOYSA-NTBA03617
Show more names
BDBM50052701AKOS017558505AT41819NSC-6915336-Methoxy-2-(4-aminophenyl)benzothiazoleNCI60_0328452-(4-aminophenyl)-6-methoxybenzo thiazole4-(6-methoxybenzothiazol-2-yl)-phenylamine
Database identifiers
- PubChem CID
- 391870
- ChEMBL
CHEMBL92390- Nikkaji
- J763.767E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Experimental & physicochemical properties
LogP1.87
Related reactions
33 records
Compound notes
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