4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline

C19H21N3OS — CID 89110548

IUPAC4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline
SMILESC=C1Sc2cc(OC)ccc2N1/C=C(\N)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H21N3OS/c1-13-22(18-10-9-16(23-4)11-19(18)24-13)12-17(20)14-5-7-15(8-6-14)21(2)3/h5-12H,1,20H2,2-4H3/b17-12-
InChIKeyHVDNYXWVQPVGBU-ATVHPVEESA-N
MW339.46 g/mol
LogP4.10
Rot. Bonds4

About 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline

4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 89110548) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline
PubChem CID89110548
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline
SMILESC=C1Sc2cc(OC)ccc2N1/C=C(\N)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H21N3OS/c1-13-22(18-10-9-16(23-4)11-19(18)24-13)12-17(20)14-5-7-15(8-6-14)21(2)3/h5-12H,1,20H2,2-4H3/b17-12-
InChIKeyHVDNYXWVQPVGBU-ATVHPVEESA-N
XLogP4.10
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline (CID 89110548) is 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline is C=C1Sc2cc(OC)ccc2N1/C=C(\N)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is HVDNYXWVQPVGBU-ATVHPVEESA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-22(18-10-9-16(23-4)11-19(18)24-13)12-17(20)14-5-7-15(8-6-14)21(2)3/h5-12H,1,20H2,2-4H3/b17-12-.
What are the key properties of 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline?
4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 339.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 89110548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).