2-[(E)-2-methoxyethenyl]-1,3-benzothiazole

C10H9NOS — CID 90475649

IUPAC2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
SMILESCO/C=C/c1nc2ccccc2s1
InChIInChI=1S/C10H9NOS/c1-12-7-6-10-11-8-4-2-3-5-9(8)13-10/h2-7H,1H3/b7-6+
InChIKeyXYQRYANXDGQSPN-VOTSOKGWSA-N
MW191.25 g/mol
LogP2.91
Rot. Bonds2

About 2-[(E)-2-methoxyethenyl]-1,3-benzothiazole

2-[(E)-2-methoxyethenyl]-1,3-benzothiazole (PubChem CID 90475649) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-[(E)-2-methoxyethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
PubChem CID90475649
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
SMILESCO/C=C/c1nc2ccccc2s1
InChIInChI=1S/C10H9NOS/c1-12-7-6-10-11-8-4-2-3-5-9(8)13-10/h2-7H,1H3/b7-6+
InChIKeyXYQRYANXDGQSPN-VOTSOKGWSA-N
XLogP2.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-[(E)-2-methoxyethenyl]-1,3-benzothiazole 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

2-[(1E)-buta-1,3-dienyl]-1,3-benzothiazole
CID 21425799
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
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135519915
2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,3-benzothiazole
CID 11790904
2-[2-(3,4,5-trimethylthiophen-2-yl)ethenyl]-1,3-benzothiazole
CID 72648028
2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol
CID 135794308
2-ethenyl-1,3-benzothiazole;hydroiodide
CID 173330780
2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole
CID 20727324
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;ethane
CID 90760249
N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline
CID 158212978
1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine
CID 102287449
2-(4-pyridin-2-ylbuta-1,3-dienyl)-1,3-benzothiazole
CID 155776746

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methoxyethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[(E)-2-methoxyethenyl]-1,3-benzothiazole (CID 90475649) is 2-[(E)-2-methoxyethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(E)-2-methoxyethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(E)-2-methoxyethenyl]-1,3-benzothiazole is CO/C=C/c1nc2ccccc2s1.
What is the InChIKey of 2-[(E)-2-methoxyethenyl]-1,3-benzothiazole?
The InChIKey is XYQRYANXDGQSPN-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H9NOS/c1-12-7-6-10-11-8-4-2-3-5-9(8)13-10/h2-7H,1H3/b7-6+.
What are the key properties of 2-[(E)-2-methoxyethenyl]-1,3-benzothiazole?
2-[(E)-2-methoxyethenyl]-1,3-benzothiazole has a molecular weight of 191.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methoxyethenyl]-1,3-benzothiazole is sourced from PubChem (CID 90475649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).