2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole

C18H17FN2OS — CID 86300146

IUPAC2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole
SMILESCCc1cc(-c2nc(C)c(COc3ccc(F)cc3)s2)ccn1
InChIInChI=1S/C18H17FN2OS/c1-3-15-10-13(8-9-20-15)18-21-12(2)17(23-18)11-22-16-6-4-14(19)5-7-16/h4-10H,3,11H2,1-2H3
InChIKeyPVOYEMUTCMWEIB-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.79
Rot. Bonds5

About 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole

2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole (PubChem CID 86300146) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole
PubChem CID86300146
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole
SMILESCCc1cc(-c2nc(C)c(COc3ccc(F)cc3)s2)ccn1
InChIInChI=1S/C18H17FN2OS/c1-3-15-10-13(8-9-20-15)18-21-12(2)17(23-18)11-22-16-6-4-14(19)5-7-16/h4-10H,3,11H2,1-2H3
InChIKeyPVOYEMUTCMWEIB-UHFFFAOYSA-N
XLogP4.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole (CID 86300146) is 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole is CCc1cc(-c2nc(C)c(COc3ccc(F)cc3)s2)ccn1.
What is the InChIKey of 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole?
The InChIKey is PVOYEMUTCMWEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c1-3-15-10-13(8-9-20-15)18-21-12(2)17(23-18)11-22-16-6-4-14(19)5-7-16/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole?
2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole has a molecular weight of 328.41 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 86300146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).