2-phenyl-4-(3-phenylphenyl)-1,3-thiazole

C21H15NS — CID 130288807

IUPAC2-phenyl-4-(3-phenylphenyl)-1,3-thiazole
SMILESc1ccc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C21H15NS/c1-3-8-16(9-4-1)18-12-7-13-19(14-18)20-15-23-21(22-20)17-10-5-2-6-11-17/h1-15H
InChIKeyRPRNGSKKQGJJRE-UHFFFAOYSA-N
MW313.43 g/mol
LogP6.14
Rot. Bonds3

About 2-phenyl-4-(3-phenylphenyl)-1,3-thiazole

2-phenyl-4-(3-phenylphenyl)-1,3-thiazole (PubChem CID 130288807) has the molecular formula C21H15NS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-(3-phenylphenyl)-1,3-thiazole
PubChem CID130288807
Molecular FormulaC21H15NS
Molecular Weight313.43 g/mol
Exact Mass313.09
IUPAC Name2-phenyl-4-(3-phenylphenyl)-1,3-thiazole
SMILESc1ccc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C21H15NS/c1-3-8-16(9-4-1)18-12-7-13-19(14-18)20-15-23-21(22-20)17-10-5-2-6-11-17/h1-15H
InChIKeyRPRNGSKKQGJJRE-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-phenyl-4-(3-phenylphenyl)-1,3-thiazole?
The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-1,3-thiazole (CID 130288807) is 2-phenyl-4-(3-phenylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-(3-phenylphenyl)-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-1,3-thiazole is c1ccc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-(3-phenylphenyl)-1,3-thiazole?
The InChIKey is RPRNGSKKQGJJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NS/c1-3-8-16(9-4-1)18-12-7-13-19(14-18)20-15-23-21(22-20)17-10-5-2-6-11-17/h1-15H.
What are the key properties of 2-phenyl-4-(3-phenylphenyl)-1,3-thiazole?
2-phenyl-4-(3-phenylphenyl)-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-phenyl-4-(3-phenylphenyl)-1,3-thiazole is sourced from PubChem (CID 130288807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).