2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole

C24H16N2S2 — CID 101069938

IUPAC2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole
SMILESc1ccc(-c2csc(-c3ccc(-c4csc(-c5ccccc5)n4)cc3)n2)cc1
InChIInChI=1S/C24H16N2S2/c1-3-7-17(8-4-1)21-15-28-24(25-21)20-13-11-18(12-14-20)22-16-27-23(26-22)19-9-5-2-6-10-19/h1-16H
InChIKeyAJUJENKSHMMMEC-UHFFFAOYSA-N
MW396.54 g/mol
LogP7.27
Rot. Bonds4

About 2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole

2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole (PubChem CID 101069938) has the molecular formula C24H16N2S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole
PubChem CID101069938
Molecular FormulaC24H16N2S2
Molecular Weight396.54 g/mol
Exact Mass396.08
IUPAC Name2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole
SMILESc1ccc(-c2csc(-c3ccc(-c4csc(-c5ccccc5)n4)cc3)n2)cc1
InChIInChI=1S/C24H16N2S2/c1-3-7-17(8-4-1)21-15-28-24(25-21)20-13-11-18(12-14-20)22-16-27-23(26-22)19-9-5-2-6-10-19/h1-16H
InChIKeyAJUJENKSHMMMEC-UHFFFAOYSA-N
XLogP7.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole?
The IUPAC name of 2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole (CID 101069938) is 2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole is c1ccc(-c2csc(-c3ccc(-c4csc(-c5ccccc5)n4)cc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole?
The InChIKey is AJUJENKSHMMMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2S2/c1-3-7-17(8-4-1)21-15-28-24(25-21)20-13-11-18(12-14-20)22-16-27-23(26-22)19-9-5-2-6-10-19/h1-16H.
What are the key properties of 2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole?
2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole has a molecular weight of 396.54 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 101069938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).