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

C23H18FNO2S — CID 3062249

IUPAC2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H18FNO2S/c1-26-19-11-5-15(6-12-19)21-22(16-7-13-20(27-2)14-8-16)28-23(25-21)17-3-9-18(24)10-4-17/h3-14H,1-2H3
InChIKeyIOEZKMHVXDPVNW-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.30
Rot. Bonds5

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

2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole (PubChem CID 3062249) has the molecular formula C23H18FNO2S and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole
PubChem CID3062249
Molecular FormulaC23H18FNO2S
Molecular Weight391.47 g/mol
Exact Mass391.10
IUPAC Name2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H18FNO2S/c1-26-19-11-5-15(6-12-19)21-22(16-7-13-20(27-2)14-8-16)28-23(25-21)17-3-9-18(24)10-4-17/h3-14H,1-2H3
InChIKeyIOEZKMHVXDPVNW-UHFFFAOYSA-N
XLogP6.30
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole (CID 3062249) is 2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2nc(-c3ccc(F)cc3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is IOEZKMHVXDPVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO2S/c1-26-19-11-5-15(6-12-19)21-22(16-7-13-20(27-2)14-8-16)28-23(25-21)17-3-9-18(24)10-4-17/h3-14H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole?
2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 391.47 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 3062249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).