2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole

C24H18N2OS2 — CID 5011383

IUPAC2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole
SMILESCCOc1ccccc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1
InChIInChI=1S/C24H18N2OS2/c1-2-27-20-12-6-3-9-16(20)15-17(23-25-18-10-4-7-13-21(18)28-23)24-26-19-11-5-8-14-22(19)29-24/h3-15H,2H2,1H3
InChIKeyBSFTZVSPMJTTCI-UHFFFAOYSA-N
MW414.56 g/mol
LogP6.89
Rot. Bonds5

About 2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole

2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole (PubChem CID 5011383) has the molecular formula C24H18N2OS2 and a molecular weight of 414.56 g/mol. Its IUPAC name is 2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole
PubChem CID5011383
Molecular FormulaC24H18N2OS2
Molecular Weight414.56 g/mol
Exact Mass414.09
IUPAC Name2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole
SMILESCCOc1ccccc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1
InChIInChI=1S/C24H18N2OS2/c1-2-27-20-12-6-3-9-16(20)15-17(23-25-18-10-4-7-13-21(18)28-23)24-26-19-11-5-8-14-22(19)29-24/h3-15H,2H2,1H3
InChIKeyBSFTZVSPMJTTCI-UHFFFAOYSA-N
XLogP6.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.56
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole (CID 5011383) is 2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole is CCOc1ccccc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1.
What is the InChIKey of 2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole?
The InChIKey is BSFTZVSPMJTTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2OS2/c1-2-27-20-12-6-3-9-16(20)15-17(23-25-18-10-4-7-13-21(18)28-23)24-26-19-11-5-8-14-22(19)29-24/h3-15H,2H2,1H3.
What are the key properties of 2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole?
2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole has a molecular weight of 414.56 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzothiazol-2-yl)-2-(2-ethoxyphenyl)ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 5011383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).