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

C21H14FNS — CID 130289521

IUPAC4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole
SMILESFc1cccc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C21H14FNS/c22-19-11-5-9-17(13-19)16-8-4-10-18(12-16)20-14-24-21(23-20)15-6-2-1-3-7-15/h1-14H
InChIKeyTUSHAOUSLJJRIN-UHFFFAOYSA-N
MW331.42 g/mol
LogP6.28
Rot. Bonds3

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

4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole (PubChem CID 130289521) has the molecular formula C21H14FNS and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole
PubChem CID130289521
Molecular FormulaC21H14FNS
Molecular Weight331.42 g/mol
Exact Mass331.08
IUPAC Name4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole
SMILESFc1cccc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C21H14FNS/c22-19-11-5-9-17(13-19)16-8-4-10-18(12-16)20-14-24-21(23-20)15-6-2-1-3-7-15/h1-14H
InChIKeyTUSHAOUSLJJRIN-UHFFFAOYSA-N
XLogP6.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole (CID 130289521) is 4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole is Fc1cccc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)c1.
What is the InChIKey of 4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole?
The InChIKey is TUSHAOUSLJJRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNS/c22-19-11-5-9-17(13-19)16-8-4-10-18(12-16)20-14-24-21(23-20)15-6-2-1-3-7-15/h1-14H.
What are the key properties of 4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole?
4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole has a molecular weight of 331.42 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)phenyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 130289521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).