2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole

C16H13NOS — CID 5377746

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole
SMILESCOc1ccc(/C=C/c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H13NOS/c1-18-13-9-6-12(7-10-13)8-11-16-17-14-4-2-3-5-15(14)19-16/h2-11H,1H3/b11-8+
InChIKeyRXKMHYYVMATNGS-DHZHZOJOSA-N
MW267.35 g/mol
LogP4.48
Rot. Bonds3

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole

2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole (PubChem CID 5377746) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole
PubChem CID5377746
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole
SMILESCOc1ccc(/C=C/c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H13NOS/c1-18-13-9-6-12(7-10-13)8-11-16-17-14-4-2-3-5-15(14)19-16/h2-11H,1H3/b11-8+
InChIKeyRXKMHYYVMATNGS-DHZHZOJOSA-N
XLogP4.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole (CID 5377746) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole is COc1ccc(/C=C/c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole?
The InChIKey is RXKMHYYVMATNGS-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H13NOS/c1-18-13-9-6-12(7-10-13)8-11-16-17-14-4-2-3-5-15(14)19-16/h2-11H,1H3/b11-8+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole?
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole has a molecular weight of 267.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 5377746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).