2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole

C23H19NO2S — CID 5140062

IUPAC2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole
SMILESCOc1cc(C=Cc2nc3ccccc3s2)ccc1OCc1ccccc1
InChIInChI=1S/C23H19NO2S/c1-25-21-15-17(11-13-20(21)26-16-18-7-3-2-4-8-18)12-14-23-24-19-9-5-6-10-22(19)27-23/h2-15H,16H2,1H3
InChIKeyVPBLAGYHYIJRFV-UHFFFAOYSA-N
MW373.48 g/mol
LogP6.05
Rot. Bonds6

About 2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole

2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole (PubChem CID 5140062) has the molecular formula C23H19NO2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole
PubChem CID5140062
Molecular FormulaC23H19NO2S
Molecular Weight373.48 g/mol
Exact Mass373.11
IUPAC Name2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole
SMILESCOc1cc(C=Cc2nc3ccccc3s2)ccc1OCc1ccccc1
InChIInChI=1S/C23H19NO2S/c1-25-21-15-17(11-13-20(21)26-16-18-7-3-2-4-8-18)12-14-23-24-19-9-5-6-10-22(19)27-23/h2-15H,16H2,1H3
InChIKeyVPBLAGYHYIJRFV-UHFFFAOYSA-N
XLogP6.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole with MolForge

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Related Compounds

methyl 4-[[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]methyl]benzoate
CID 6187294
2-[4-[(Z)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetic acid
CID 92945317
2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-1,3-benzothiazole
CID 6183540
2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole
CID 9037847
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135519915
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 3117869
2-[(E)-2-(3-methoxy-4-methylsulfanylphenyl)ethenyl]-1,3-benzothiazole
CID 60603984
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
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
[5-[(Z)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl] dihydrogen phosphate
CID 165416600
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
2-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole
CID 9037879

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole (CID 5140062) is 2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole is COc1cc(C=Cc2nc3ccccc3s2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole?
The InChIKey is VPBLAGYHYIJRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2S/c1-25-21-15-17(11-13-20(21)26-16-18-7-3-2-4-8-18)12-14-23-24-19-9-5-6-10-22(19)27-23/h2-15H,16H2,1H3.
What are the key properties of 2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole?
2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole has a molecular weight of 373.48 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 5140062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).