2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole

C23H17NO2S — CID 130289143

IUPAC2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole
SMILESc1ccc(-c2cccc(-c3csc(-c4cccc5c4OCCO5)n3)c2)cc1
InChIInChI=1S/C23H17NO2S/c1-2-6-16(7-3-1)17-8-4-9-18(14-17)20-15-27-23(24-20)19-10-5-11-21-22(19)26-13-12-25-21/h1-11,14-15H,12-13H2
InChIKeyYUGJUWUOYRCGSO-UHFFFAOYSA-N
MW371.46 g/mol
LogP5.92
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole

2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole (PubChem CID 130289143) has the molecular formula C23H17NO2S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole
PubChem CID130289143
Molecular FormulaC23H17NO2S
Molecular Weight371.46 g/mol
Exact Mass371.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole
SMILESc1ccc(-c2cccc(-c3csc(-c4cccc5c4OCCO5)n3)c2)cc1
InChIInChI=1S/C23H17NO2S/c1-2-6-16(7-3-1)17-8-4-9-18(14-17)20-15-27-23(24-20)19-10-5-11-21-22(19)26-13-12-25-21/h1-11,14-15H,12-13H2
InChIKeyYUGJUWUOYRCGSO-UHFFFAOYSA-N
XLogP5.92
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole (CID 130289143) is 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole is c1ccc(-c2cccc(-c3csc(-c4cccc5c4OCCO5)n3)c2)cc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole?
The InChIKey is YUGJUWUOYRCGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2S/c1-2-6-16(7-3-1)17-8-4-9-18(14-17)20-15-27-23(24-20)19-10-5-11-21-22(19)26-13-12-25-21/h1-11,14-15H,12-13H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole?
2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole has a molecular weight of 371.46 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-phenylphenyl)-1,3-thiazole is sourced from PubChem (CID 130289143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).