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

C19H18ClFN2OS — CID 86300442

IUPAC5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole
SMILESCCc1cc(-c2nc(C)c(COCc3ccc(F)cc3Cl)s2)ccn1
InChIInChI=1S/C19H18ClFN2OS/c1-3-16-8-13(6-7-22-16)19-23-12(2)18(25-19)11-24-10-14-4-5-15(21)9-17(14)20/h4-9H,3,10-11H2,1-2H3
InChIKeySORCYZJJXGRQJR-UHFFFAOYSA-N
MW376.88 g/mol
LogP5.59
Rot. Bonds6

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

5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole (PubChem CID 86300442) has the molecular formula C19H18ClFN2OS and a molecular weight of 376.88 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole
PubChem CID86300442
Molecular FormulaC19H18ClFN2OS
Molecular Weight376.88 g/mol
Exact Mass376.08
IUPAC Name5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole
SMILESCCc1cc(-c2nc(C)c(COCc3ccc(F)cc3Cl)s2)ccn1
InChIInChI=1S/C19H18ClFN2OS/c1-3-16-8-13(6-7-22-16)19-23-12(2)18(25-19)11-24-10-14-4-5-15(21)9-17(14)20/h4-9H,3,10-11H2,1-2H3
InChIKeySORCYZJJXGRQJR-UHFFFAOYSA-N
XLogP5.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.88
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole (CID 86300442) is 5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole is CCc1cc(-c2nc(C)c(COCc3ccc(F)cc3Cl)s2)ccn1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole?
The InChIKey is SORCYZJJXGRQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2OS/c1-3-16-8-13(6-7-22-16)19-23-12(2)18(25-19)11-24-10-14-4-5-15(21)9-17(14)20/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole?
5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole has a molecular weight of 376.88 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 86300442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).