2-(2,5-diphenylphenyl)-1,3-thiazole

C21H15NS — CID 71205549

IUPAC2-(2,5-diphenylphenyl)-1,3-thiazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3nccs3)c2)cc1
InChIInChI=1S/C21H15NS/c1-3-7-16(8-4-1)18-11-12-19(17-9-5-2-6-10-17)20(15-18)21-22-13-14-23-21/h1-15H
InChIKeyNHSOLNDMCONCRX-UHFFFAOYSA-N
MW313.43 g/mol
LogP6.14
Rot. Bonds3

About 2-(2,5-diphenylphenyl)-1,3-thiazole

2-(2,5-diphenylphenyl)-1,3-thiazole (PubChem CID 71205549) has the molecular formula C21H15NS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(2,5-diphenylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,5-diphenylphenyl)-1,3-thiazole
PubChem CID71205549
Molecular FormulaC21H15NS
Molecular Weight313.43 g/mol
Exact Mass313.09
IUPAC Name2-(2,5-diphenylphenyl)-1,3-thiazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3nccs3)c2)cc1
InChIInChI=1S/C21H15NS/c1-3-7-16(8-4-1)18-11-12-19(17-9-5-2-6-10-17)20(15-18)21-22-13-14-23-21/h1-15H
InChIKeyNHSOLNDMCONCRX-UHFFFAOYSA-N
XLogP6.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.43
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diphenylphenyl)-1,3-thiazole?
The IUPAC name of 2-(2,5-diphenylphenyl)-1,3-thiazole (CID 71205549) is 2-(2,5-diphenylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,5-diphenylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2,5-diphenylphenyl)-1,3-thiazole is c1ccc(-c2ccc(-c3ccccc3)c(-c3nccs3)c2)cc1.
What is the InChIKey of 2-(2,5-diphenylphenyl)-1,3-thiazole?
The InChIKey is NHSOLNDMCONCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NS/c1-3-7-16(8-4-1)18-11-12-19(17-9-5-2-6-10-17)20(15-18)21-22-13-14-23-21/h1-15H.
What are the key properties of 2-(2,5-diphenylphenyl)-1,3-thiazole?
2-(2,5-diphenylphenyl)-1,3-thiazole has a molecular weight of 313.43 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diphenylphenyl)-1,3-thiazole is sourced from PubChem (CID 71205549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).