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

C19H19FN2OS — CID 86301813

IUPAC2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole
SMILESCCc1cc(-c2nc(C)c(COCc3ccc(F)cc3)s2)ccn1
InChIInChI=1S/C19H19FN2OS/c1-3-17-10-15(8-9-21-17)19-22-13(2)18(24-19)12-23-11-14-4-6-16(20)7-5-14/h4-10H,3,11-12H2,1-2H3
InChIKeyLDUKZRYOWMCBTD-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.93
Rot. Bonds6

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

2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole (PubChem CID 86301813) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole
PubChem CID86301813
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC Name2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole
SMILESCCc1cc(-c2nc(C)c(COCc3ccc(F)cc3)s2)ccn1
InChIInChI=1S/C19H19FN2OS/c1-3-17-10-15(8-9-21-17)19-22-13(2)18(24-19)12-23-11-14-4-6-16(20)7-5-14/h4-10H,3,11-12H2,1-2H3
InChIKeyLDUKZRYOWMCBTD-UHFFFAOYSA-N
XLogP4.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.93
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-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole (CID 86301813) is 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole is CCc1cc(-c2nc(C)c(COCc3ccc(F)cc3)s2)ccn1.
What is the InChIKey of 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole?
The InChIKey is LDUKZRYOWMCBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-3-17-10-15(8-9-21-17)19-22-13(2)18(24-19)12-23-11-14-4-6-16(20)7-5-14/h4-10H,3,11-12H2,1-2H3.
What are the key properties of 2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole?
2-(2-ethyl-4-pyridinyl)-5-[(4-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole has a molecular weight of 342.44 g/mol, XLogP of 4.93, 6 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-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 86301813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).