4-(6-Methoxy-1,3-benzothiazol-2-yl)aniline

HCID 391870

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

Experimental & physicochemical properties

LogP1.87

Related reactions

33 records

Compound notes

Loading…