2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole

C17H13NS — CID 20727324

IUPAC2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole
SMILESC=Cc1ccc(/C=C/c2nc3ccccc3s2)cc1
InChIInChI=1S/C17H13NS/c1-2-13-7-9-14(10-8-13)11-12-17-18-15-5-3-4-6-16(15)19-17/h2-12H,1H2/b12-11+
InChIKeyDUKBHDQVDTWRCP-VAWYXSNFSA-N
MW263.37 g/mol
LogP5.11
Rot. Bonds3

About 2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole

2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole (PubChem CID 20727324) has the molecular formula C17H13NS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole
PubChem CID20727324
Molecular FormulaC17H13NS
Molecular Weight263.37 g/mol
Exact Mass263.08
IUPAC Name2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole
SMILESC=Cc1ccc(/C=C/c2nc3ccccc3s2)cc1
InChIInChI=1S/C17H13NS/c1-2-13-7-9-14(10-8-13)11-12-17-18-15-5-3-4-6-16(15)19-17/h2-12H,1H2/b12-11+
InChIKeyDUKBHDQVDTWRCP-VAWYXSNFSA-N
XLogP5.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.37
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 10896445
2-ethenyl-1,3-benzothiazole;hydroiodide
CID 173330780
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;ethane
CID 90760249
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-[(1E)-buta-1,3-dienyl]-1,3-benzothiazole
CID 21425799
2-[(E)-2-(4-azidophenyl)ethenyl]-1,3-benzothiazole
CID 71665743
2-[[4-[2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]methylidene]propanedinitrile
CID 71374813
2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol
CID 135794308
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N,2-trimethylaniline
CID 53315247
4-[4-(1,3-benzothiazol-2-yl)buta-1,3-dienyl]-N-methylaniline
CID 73097732
4-[(1E,3E)-4-(1,3-benzothiazol-2-yl)buta-1,3-dienyl]-N,N-diiodoaniline
CID 163502609
2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
CID 90475649

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole (CID 20727324) is 2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole is C=Cc1ccc(/C=C/c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole?
The InChIKey is DUKBHDQVDTWRCP-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H13NS/c1-2-13-7-9-14(10-8-13)11-12-17-18-15-5-3-4-6-16(15)19-17/h2-12H,1H2/b12-11+.
What are the key properties of 2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole?
2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole has a molecular weight of 263.37 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 20727324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).