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

C23H17ClFNOS — CID 70990069

IUPAC4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2OCc2ccc(-c3ccc(Cl)cc3)cc2F)cs1
InChIInChI=1S/C23H17ClFNOS/c1-15-26-22(14-28-15)20-4-2-3-5-23(20)27-13-18-7-6-17(12-21(18)25)16-8-10-19(24)11-9-16/h2-12,14H,13H2,1H3
InChIKeyBDUBYAIJLJDVTB-UHFFFAOYSA-N
MW409.91 g/mol
LogP7.16
Rot. Bonds5

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

4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole (PubChem CID 70990069) has the molecular formula C23H17ClFNOS and a molecular weight of 409.91 g/mol. Its IUPAC name is 4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole
PubChem CID70990069
Molecular FormulaC23H17ClFNOS
Molecular Weight409.91 g/mol
Exact Mass409.07
IUPAC Name4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2OCc2ccc(-c3ccc(Cl)cc3)cc2F)cs1
InChIInChI=1S/C23H17ClFNOS/c1-15-26-22(14-28-15)20-4-2-3-5-23(20)27-13-18-7-6-17(12-21(18)25)16-8-10-19(24)11-9-16/h2-12,14H,13H2,1H3
InChIKeyBDUBYAIJLJDVTB-UHFFFAOYSA-N
XLogP7.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole (CID 70990069) is 4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole is Cc1nc(-c2ccccc2OCc2ccc(-c3ccc(Cl)cc3)cc2F)cs1.
What is the InChIKey of 4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole?
The InChIKey is BDUBYAIJLJDVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFNOS/c1-15-26-22(14-28-15)20-4-2-3-5-23(20)27-13-18-7-6-17(12-21(18)25)16-8-10-19(24)11-9-16/h2-12,14H,13H2,1H3.
What are the key properties of 4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole?
4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole has a molecular weight of 409.91 g/mol, XLogP of 7.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(4-chlorophenyl)-2-fluorophenyl]methoxy]phenyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 70990069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).