2-[(E)-2-phenylethenyl]-1,3-benzothiazole

C15H11NS — CID 6104260

IUPAC2-[(E)-2-phenylethenyl]-1,3-benzothiazole
SMILESC(=C/c1nc2ccccc2s1)\c1ccccc1
InChIInChI=1S/C15H11NS/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-11H/b11-10+
InChIKeyLCIISWPXOZNVIG-ZHACJKMWSA-N
MW237.33 g/mol
LogP4.47
Rot. Bonds2

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

2-[(E)-2-phenylethenyl]-1,3-benzothiazole (PubChem CID 6104260) has the molecular formula C15H11NS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-1,3-benzothiazole
PubChem CID6104260
Molecular FormulaC15H11NS
Molecular Weight237.33 g/mol
Exact Mass237.06
IUPAC Name2-[(E)-2-phenylethenyl]-1,3-benzothiazole
SMILESC(=C/c1nc2ccccc2s1)\c1ccccc1
InChIInChI=1S/C15H11NS/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-11H/b11-10+
InChIKeyLCIISWPXOZNVIG-ZHACJKMWSA-N
XLogP4.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[(E)-2-phenylethenyl]-1,3-benzothiazole (CID 6104260) is 2-[(E)-2-phenylethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-1,3-benzothiazole is C(=C/c1nc2ccccc2s1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-1,3-benzothiazole?
The InChIKey is LCIISWPXOZNVIG-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H11NS/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-11H/b11-10+.
What are the key properties of 2-[(E)-2-phenylethenyl]-1,3-benzothiazole?
2-[(E)-2-phenylethenyl]-1,3-benzothiazole has a molecular weight of 237.33 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-1,3-benzothiazole is sourced from PubChem (CID 6104260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).