4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole

C18H15F2NOS — CID 2441525

IUPAC4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole
SMILESCCOc1ccc(-c2nc(-c3ccc(F)c(F)c3)c(C)s2)cc1
InChIInChI=1S/C18H15F2NOS/c1-3-22-14-7-4-12(5-8-14)18-21-17(11(2)23-18)13-6-9-15(19)16(20)10-13/h4-10H,3H2,1-2H3
InChIKeyQGELDVAFOIYYBW-UHFFFAOYSA-N
MW331.39 g/mol
LogP5.46
Rot. Bonds4

About 4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole

4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole (PubChem CID 2441525) has the molecular formula C18H15F2NOS and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole
PubChem CID2441525
Molecular FormulaC18H15F2NOS
Molecular Weight331.39 g/mol
Exact Mass331.08
IUPAC Name4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole
SMILESCCOc1ccc(-c2nc(-c3ccc(F)c(F)c3)c(C)s2)cc1
InChIInChI=1S/C18H15F2NOS/c1-3-22-14-7-4-12(5-8-14)18-21-17(11(2)23-18)13-6-9-15(19)16(20)10-13/h4-10H,3H2,1-2H3
InChIKeyQGELDVAFOIYYBW-UHFFFAOYSA-N
XLogP5.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole (CID 2441525) is 4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole is CCOc1ccc(-c2nc(-c3ccc(F)c(F)c3)c(C)s2)cc1.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole?
The InChIKey is QGELDVAFOIYYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NOS/c1-3-22-14-7-4-12(5-8-14)18-21-17(11(2)23-18)13-6-9-15(19)16(20)10-13/h4-10H,3H2,1-2H3.
What are the key properties of 4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole?
4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole has a molecular weight of 331.39 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 2441525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).