2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine

C18H19F2N3OS — CID 143468662

IUPAC2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine
SMILESCC1S/C(=N/C(C)c2ccc(F)cc2F)NC1=O.Cc1ccncc1
InChIInChI=1S/C12H12F2N2OS.C6H7N/c1-6(9-4-3-8(13)5-10(9)14)15-12-16-11(17)7(2)18-12;1-6-2-4-7-5-3-6/h3-7H,1-2H3,(H,15,16,17);2-5H,1H3
InChIKeyMLIYSADEPFFMBH-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.02
Rot. Bonds2

About 2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine

2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine (PubChem CID 143468662) has the molecular formula C18H19F2N3OS and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine
PubChem CID143468662
Molecular FormulaC18H19F2N3OS
Molecular Weight363.43 g/mol
Exact Mass363.12
IUPAC Name2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine
SMILESCC1S/C(=N/C(C)c2ccc(F)cc2F)NC1=O.Cc1ccncc1
InChIInChI=1S/C12H12F2N2OS.C6H7N/c1-6(9-4-3-8(13)5-10(9)14)15-12-16-11(17)7(2)18-12;1-6-2-4-7-5-3-6/h3-7H,1-2H3,(H,15,16,17);2-5H,1H3
InChIKeyMLIYSADEPFFMBH-UHFFFAOYSA-N
XLogP4.02
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine?
The IUPAC name of 2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine (CID 143468662) is 2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine is CC1S/C(=N/C(C)c2ccc(F)cc2F)NC1=O.Cc1ccncc1.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine?
The InChIKey is MLIYSADEPFFMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2OS.C6H7N/c1-6(9-4-3-8(13)5-10(9)14)15-12-16-11(17)7(2)18-12;1-6-2-4-7-5-3-6/h3-7H,1-2H3,(H,15,16,17);2-5H,1H3.
What are the key properties of 2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine?
2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine has a molecular weight of 363.43 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine is sourced from PubChem (CID 143468662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).