3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one

C19H18F3NOS — CID 3671440

IUPAC3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(C2SCC(=O)N2Cc2cc(F)c(F)c(F)c2)c(C)c1
InChIInChI=1S/C19H18F3NOS/c1-10-4-11(2)17(12(3)5-10)19-23(16(24)9-25-19)8-13-6-14(20)18(22)15(21)7-13/h4-7,19H,8-9H2,1-3H3
InChIKeyZDEYYYYVUKRCCK-UHFFFAOYSA-N
MW365.42 g/mol
LogP4.80
Rot. Bonds3

About 3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one

3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3671440) has the molecular formula C19H18F3NOS and a molecular weight of 365.42 g/mol. Its IUPAC name is 3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
PubChem CID3671440
Molecular FormulaC19H18F3NOS
Molecular Weight365.42 g/mol
Exact Mass365.11
IUPAC Name3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(C2SCC(=O)N2Cc2cc(F)c(F)c(F)c2)c(C)c1
InChIInChI=1S/C19H18F3NOS/c1-10-4-11(2)17(12(3)5-10)19-23(16(24)9-25-19)8-13-6-14(20)18(22)15(21)7-13/h4-7,19H,8-9H2,1-3H3
InChIKeyZDEYYYYVUKRCCK-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one (CID 3671440) is 3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one is Cc1cc(C)c(C2SCC(=O)N2Cc2cc(F)c(F)c(F)c2)c(C)c1.
What is the InChIKey of 3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is ZDEYYYYVUKRCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NOS/c1-10-4-11(2)17(12(3)5-10)19-23(16(24)9-25-19)8-13-6-14(20)18(22)15(21)7-13/h4-7,19H,8-9H2,1-3H3.
What are the key properties of 3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 365.42 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4,5-trifluorophenyl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3671440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).