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

C16H15NOS — CID 175771585

IUPAC4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol
SMILESCN1c2ccccc2SC1/C=C/c1ccc(O)cc1
InChIInChI=1S/C16H15NOS/c1-17-14-4-2-3-5-15(14)19-16(17)11-8-12-6-9-13(18)10-7-12/h2-11,16,18H,1H3/b11-8+
InChIKeyOKRNDXKCOPSEML-DHZHZOJOSA-N
MW269.37 g/mol
LogP3.97
Rot. Bonds2

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

4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol (PubChem CID 175771585) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol
PubChem CID175771585
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol
SMILESCN1c2ccccc2SC1/C=C/c1ccc(O)cc1
InChIInChI=1S/C16H15NOS/c1-17-14-4-2-3-5-15(14)19-16(17)11-8-12-6-9-13(18)10-7-12/h2-11,16,18H,1H3/b11-8+
InChIKeyOKRNDXKCOPSEML-DHZHZOJOSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline
CID 174784632
3-methyl-2H-1,3-benzothiazole-2-carbaldehyde
CID 174407805
3-ethyl-2-[2-(4-piperazin-1-ylphenyl)ethenyl]-2H-1,3-benzothiazole;hydroiodide
CID 174955707
2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 13375165
(2Z)-3-methyl-2-[(2E)-2-[(3-methyl-2H-1,3-benzothiazol-2-yl)methylidene]butylidene]-1,3-benzothiazole;hydroiodide
CID 170844409
3-methyl-2-[(1-phenylquinolin-4-ylidene)methyl]-2H-1,3-benzothiazole
CID 54317516
4-(2-phenylethenyl)phenol
CID 157400568
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide
CID 175144014
2-[(2-chloro-1-phenylquinolin-4-ylidene)methyl]-3-methyl-2H-1,3-benzothiazole;hydroiodide
CID 74409607
4-(3-methyl-2H-1,3-benzothiazol-2-yl)but-2-en-2-ol
CID 126516811
2-[(2-chloro-1-methylquinolin-4-ylidene)methyl]-3-methyl-2H-1,3-benzothiazole;hydrochloride
CID 173336628

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol?
The IUPAC name of 4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol (CID 175771585) is 4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol is CN1c2ccccc2SC1/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol?
The InChIKey is OKRNDXKCOPSEML-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H15NOS/c1-17-14-4-2-3-5-15(14)19-16(17)11-8-12-6-9-13(18)10-7-12/h2-11,16,18H,1H3/b11-8+.
What are the key properties of 4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol?
4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol has a molecular weight of 269.37 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol is sourced from PubChem (CID 175771585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).