2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol

C17H15NO3S — CID 135556589

IUPAC2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol
SMILESCOc1ccc2nc(/C=C/c3ccc(O)c(OC)c3)sc2c1
InChIInChI=1S/C17H15NO3S/c1-20-12-5-6-13-16(10-12)22-17(18-13)8-4-11-3-7-14(19)15(9-11)21-2/h3-10,19H,1-2H3/b8-4+
InChIKeyJWTQVGQRGSXDGM-XBXARRHUSA-N
MW313.38 g/mol
LogP4.19
Rot. Bonds4

About 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol

2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol (PubChem CID 135556589) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol
PubChem CID135556589
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol
SMILESCOc1ccc2nc(/C=C/c3ccc(O)c(OC)c3)sc2c1
InChIInChI=1S/C17H15NO3S/c1-20-12-5-6-13-16(10-12)22-17(18-13)8-4-11-3-7-14(19)15(9-11)21-2/h3-10,19H,1-2H3/b8-4+
InChIKeyJWTQVGQRGSXDGM-XBXARRHUSA-N
XLogP4.19
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-2,6-dimethylphenol
CID 135556592
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methoxy-1,3-benzothiazole
CID 9448034
3-chloro-5-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]benzene-1,2-diol
CID 135750005
2-[(E)-2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethenyl]-6-methoxy-1,3-benzothiazole
CID 9448058
2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole
CID 154691622
6-methoxy-2-[(E)-2-[2-(2-methoxyphenyl)pyrimidin-5-yl]ethenyl]-1,3-benzothiazole
CID 167910512
3-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enoic acid
CID 131887333
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135519915
6-methyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzothiazole
CID 162679686
2,5-dimethyl-6-nitro-1,3-benzothiazole;4-hydroxy-3-methoxybenzaldehyde;2-methoxy-4-[(E)-2-(5-methyl-6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenol
CID 158890802
2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-benzothiazole
CID 20727321
2-(4-bromobut-1-enyl)-6-methoxy-1,3-benzothiazole
CID 170498190

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol (CID 135556589) is 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol is COc1ccc2nc(/C=C/c3ccc(O)c(OC)c3)sc2c1.
What is the InChIKey of 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol?
The InChIKey is JWTQVGQRGSXDGM-XBXARRHUSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-20-12-5-6-13-16(10-12)22-17(18-13)8-4-11-3-7-14(19)15(9-11)21-2/h3-10,19H,1-2H3/b8-4+.
What are the key properties of 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol?
2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol has a molecular weight of 313.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol is sourced from PubChem (CID 135556589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).