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

C19H12FNS2 — CID 130289102

IUPAC4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole
SMILESFc1ccc(-c2cccc(-c3csc(-c4cccs4)n3)c2)cc1
InChIInChI=1S/C19H12FNS2/c20-16-8-6-13(7-9-16)14-3-1-4-15(11-14)17-12-23-19(21-17)18-5-2-10-22-18/h1-12H
InChIKeyJERUMEHPAFZPKP-UHFFFAOYSA-N
MW337.44 g/mol
LogP6.34
Rot. Bonds3

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

4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole (PubChem CID 130289102) has the molecular formula C19H12FNS2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole
PubChem CID130289102
Molecular FormulaC19H12FNS2
Molecular Weight337.44 g/mol
Exact Mass337.04
IUPAC Name4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole
SMILESFc1ccc(-c2cccc(-c3csc(-c4cccs4)n3)c2)cc1
InChIInChI=1S/C19H12FNS2/c20-16-8-6-13(7-9-16)14-3-1-4-15(11-14)17-12-23-19(21-17)18-5-2-10-22-18/h1-12H
InChIKeyJERUMEHPAFZPKP-UHFFFAOYSA-N
XLogP6.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole (CID 130289102) is 4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole is Fc1ccc(-c2cccc(-c3csc(-c4cccs4)n3)c2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is JERUMEHPAFZPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNS2/c20-16-8-6-13(7-9-16)14-3-1-4-15(11-14)17-12-23-19(21-17)18-5-2-10-22-18/h1-12H.
What are the key properties of 4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole?
4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 337.44 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 130289102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).