3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole

C22H24FNOS — CID 90982649

IUPAC3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole
SMILESCCc1cc(-c2cc(-c3ccc(OC)c(F)c3)ns2)cc(CC)c1CC
InChIInChI=1S/C22H24FNOS/c1-5-14-10-17(11-15(6-2)18(14)7-3)22-13-20(24-26-22)16-8-9-21(25-4)19(23)12-16/h8-13H,5-7H2,1-4H3
InChIKeySELHBJKNUFKMLG-UHFFFAOYSA-N
MW369.51 g/mol
LogP6.31
Rot. Bonds6

About 3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole

3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole (PubChem CID 90982649) has the molecular formula C22H24FNOS and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole
PubChem CID90982649
Molecular FormulaC22H24FNOS
Molecular Weight369.51 g/mol
Exact Mass369.16
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole
SMILESCCc1cc(-c2cc(-c3ccc(OC)c(F)c3)ns2)cc(CC)c1CC
InChIInChI=1S/C22H24FNOS/c1-5-14-10-17(11-15(6-2)18(14)7-3)22-13-20(24-26-22)16-8-9-21(25-4)19(23)12-16/h8-13H,5-7H2,1-4H3
InChIKeySELHBJKNUFKMLG-UHFFFAOYSA-N
XLogP6.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methoxyphenyl)-1,2-benzothiazole
CID 102173718
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(3-methyl-1,2-thiazol-5-yl)methanimine
CID 122177276
6-Fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole
CID 18683312
6-Methoxy-3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazole
CID 22313952
4-(3-Fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole
CID 57800596
4-(3-Fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-thiazole
CID 57800923
3-(3-Fluoro-4-methoxyphenyl)isothiazol-5-ylamine
CID 67181531
4-[3-(3-Fluoro-4-methoxyphenyl)-5-methyl-1,2-thiazol-4-yl]benzenesulfonamide
CID 67578397
5-(2-Methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole
CID 67806563
5-(2-Methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole
CID 67819304
4-(2-Methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole
CID 69176846
3-[3,5-Difluoro-4-[[5-(fluoromethyl)-3-(4-methoxyphenyl)-1,2-thiazol-4-yl]methoxy]phenyl]propan-1-ol
CID 90443730

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole (CID 90982649) is 3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole is CCc1cc(-c2cc(-c3ccc(OC)c(F)c3)ns2)cc(CC)c1CC.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole?
The InChIKey is SELHBJKNUFKMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNOS/c1-5-14-10-17(11-15(6-2)18(14)7-3)22-13-20(24-26-22)16-8-9-21(25-4)19(23)12-16/h8-13H,5-7H2,1-4H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole?
3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole has a molecular weight of 369.51 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole is sourced from PubChem (CID 90982649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).