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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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).