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

C15H11NOS — CID 135794308

IUPAC2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol
SMILESOc1ccccc1/C=C/c1nc2ccccc2s1
InChIInChI=1S/C15H11NOS/c17-13-7-3-1-5-11(13)9-10-15-16-12-6-2-4-8-14(12)18-15/h1-10,17H/b10-9+
InChIKeyCRXXSRHEVCFJGI-MDZDMXLPSA-N
MW253.33 g/mol
LogP4.17
Rot. Bonds2

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

2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol (PubChem CID 135794308) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol
PubChem CID135794308
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol
SMILESOc1ccccc1/C=C/c1nc2ccccc2s1
InChIInChI=1S/C15H11NOS/c17-13-7-3-1-5-11(13)9-10-15-16-12-6-2-4-8-14(12)18-15/h1-10,17H/b10-9+
InChIKeyCRXXSRHEVCFJGI-MDZDMXLPSA-N
XLogP4.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole
CID 7966865
2-[(1E)-buta-1,3-dienyl]-1,3-benzothiazole
CID 21425799
2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
CID 90475649
2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole
CID 20727324
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135519915
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-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,3-benzothiazole
CID 11790904
N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine
CID 142937013
2-[2-(3,4,5-trimethylthiophen-2-yl)ethenyl]-1,3-benzothiazole
CID 72648028
2-(2,2-dibromoethenyl)-1,3-benzothiazole
CID 139773786
(NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine
CID 135703658
2-[(E)-2-[2-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-1,3-benzothiazole
CID 7966883

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol?
The IUPAC name of 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol (CID 135794308) is 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol.
What is the SMILES notation for 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol?
The canonical SMILES for 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol is Oc1ccccc1/C=C/c1nc2ccccc2s1.
What is the InChIKey of 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol?
The InChIKey is CRXXSRHEVCFJGI-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H11NOS/c17-13-7-3-1-5-11(13)9-10-15-16-12-6-2-4-8-14(12)18-15/h1-10,17H/b10-9+.
What are the key properties of 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol?
2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol has a molecular weight of 253.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol is sourced from PubChem (CID 135794308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).