4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole

C18H12F5NOS — CID 141468334

IUPAC4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole
SMILESCc1ccc(-c2nsc(C(F)(F)F)c2COc2c(F)cccc2F)cc1
InChIInChI=1S/C18H12F5NOS/c1-10-5-7-11(8-6-10)15-12(17(26-24-15)18(21,22)23)9-25-16-13(19)3-2-4-14(16)20/h2-8H,9H2,1H3
InChIKeyXLYAVTPRWMGFHG-UHFFFAOYSA-N
MW385.36 g/mol
LogP5.99
Rot. Bonds4

About 4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole

4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole (PubChem CID 141468334) has the molecular formula C18H12F5NOS and a molecular weight of 385.36 g/mol. Its IUPAC name is 4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole
PubChem CID141468334
Molecular FormulaC18H12F5NOS
Molecular Weight385.36 g/mol
Exact Mass385.06
IUPAC Name4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole
SMILESCc1ccc(-c2nsc(C(F)(F)F)c2COc2c(F)cccc2F)cc1
InChIInChI=1S/C18H12F5NOS/c1-10-5-7-11(8-6-10)15-12(17(26-24-15)18(21,22)23)9-25-16-13(19)3-2-4-14(16)20/h2-8H,9H2,1H3
InChIKeyXLYAVTPRWMGFHG-UHFFFAOYSA-N
XLogP5.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.36
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole (CID 141468334) is 4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole is Cc1ccc(-c2nsc(C(F)(F)F)c2COc2c(F)cccc2F)cc1.
What is the InChIKey of 4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole?
The InChIKey is XLYAVTPRWMGFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5NOS/c1-10-5-7-11(8-6-10)15-12(17(26-24-15)18(21,22)23)9-25-16-13(19)3-2-4-14(16)20/h2-8H,9H2,1H3.
What are the key properties of 4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole?
4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole has a molecular weight of 385.36 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenoxy)methyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 141468334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).