4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole

C20H14FNS2 — CID 2741196

IUPAC4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole
SMILESCc1sc(-c2ccsc2)nc1-c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C20H14FNS2/c1-13-19(22-20(24-13)16-10-11-23-12-16)15-8-6-14(7-9-15)17-4-2-3-5-18(17)21/h2-12H,1H3
InChIKeyGXTWGSZINWHUPF-UHFFFAOYSA-N
MW351.47 g/mol
LogP6.65
Rot. Bonds3

About 4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole

4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole (PubChem CID 2741196) has the molecular formula C20H14FNS2 and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole
PubChem CID2741196
Molecular FormulaC20H14FNS2
Molecular Weight351.47 g/mol
Exact Mass351.06
IUPAC Name4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole
SMILESCc1sc(-c2ccsc2)nc1-c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C20H14FNS2/c1-13-19(22-20(24-13)16-10-11-23-12-16)15-8-6-14(7-9-15)17-4-2-3-5-18(17)21/h2-12H,1H3
InChIKeyGXTWGSZINWHUPF-UHFFFAOYSA-N
XLogP6.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole (CID 2741196) is 4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole is Cc1sc(-c2ccsc2)nc1-c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is GXTWGSZINWHUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNS2/c1-13-19(22-20(24-13)16-10-11-23-12-16)15-8-6-14(7-9-15)17-4-2-3-5-18(17)21/h2-12H,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole?
4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 351.47 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)phenyl]-5-methyl-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 2741196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).