2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole

C16H11F2NS — CID 118149754

IUPAC2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)cc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C16H11F2NS/c1-10-15(11-2-6-13(17)7-3-11)20-16(19-10)12-4-8-14(18)9-5-12/h2-9H,1H3
InChIKeyCLOAVXILDUAZFY-UHFFFAOYSA-N
MW287.33 g/mol
LogP5.06
Rot. Bonds2

About 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole

2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole (PubChem CID 118149754) has the molecular formula C16H11F2NS and a molecular weight of 287.33 g/mol. Its IUPAC name is 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole
PubChem CID118149754
Molecular FormulaC16H11F2NS
Molecular Weight287.33 g/mol
Exact Mass287.06
IUPAC Name2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)cc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C16H11F2NS/c1-10-15(11-2-6-13(17)7-3-11)20-16(19-10)12-4-8-14(18)9-5-12/h2-9H,1H3
InChIKeyCLOAVXILDUAZFY-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.33
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole (CID 118149754) is 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole is Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(F)cc1.
What is the InChIKey of 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole?
The InChIKey is CLOAVXILDUAZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NS/c1-10-15(11-2-6-13(17)7-3-11)20-16(19-10)12-4-8-14(18)9-5-12/h2-9H,1H3.
What are the key properties of 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole?
2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole has a molecular weight of 287.33 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 118149754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).