3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one

C15H11NOS — CID 5333073

IUPAC3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1/C=C/c1ccccc1
InChIInChI=1S/C15H11NOS/c17-15-16(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-15/h1-11H/b11-10+
InChIKeyHDFJJNBNBQVMLI-ZHACJKMWSA-N
MW253.33 g/mol
LogP3.69
Rot. Bonds2

About 3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one

3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one (PubChem CID 5333073) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one
PubChem CID5333073
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1/C=C/c1ccccc1
InChIInChI=1S/C15H11NOS/c17-15-16(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-15/h1-11H/b11-10+
InChIKeyHDFJJNBNBQVMLI-ZHACJKMWSA-N
XLogP3.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118713589
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CID 118713682
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CID 10339767
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CID 10361564

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one?
The IUPAC name of 3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one (CID 5333073) is 3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one is O=c1sc2ccccc2n1/C=C/c1ccccc1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one?
The InChIKey is HDFJJNBNBQVMLI-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H11NOS/c17-15-16(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-15/h1-11H/b11-10+.
What are the key properties of 3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one?
3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one has a molecular weight of 253.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-1,3-benzothiazol-2-one is sourced from PubChem (CID 5333073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).