5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one

C15H21FN2OS — CID 24715636

IUPAC5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one
SMILESCCC1SC(c2ccc(F)cc2)N(CCCNC)C1=O
InChIInChI=1S/C15H21FN2OS/c1-3-13-14(19)18(10-4-9-17-2)15(20-13)11-5-7-12(16)8-6-11/h5-8,13,15,17H,3-4,9-10H2,1-2H3
InChIKeyUDDPINDYSJGDBJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.79
Rot. Bonds6

About 5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one

5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one (PubChem CID 24715636) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one
PubChem CID24715636
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one
SMILESCCC1SC(c2ccc(F)cc2)N(CCCNC)C1=O
InChIInChI=1S/C15H21FN2OS/c1-3-13-14(19)18(10-4-9-17-2)15(20-13)11-5-7-12(16)8-6-11/h5-8,13,15,17H,3-4,9-10H2,1-2H3
InChIKeyUDDPINDYSJGDBJ-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one (CID 24715636) is 5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one is CCC1SC(c2ccc(F)cc2)N(CCCNC)C1=O.
What is the InChIKey of 5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one?
The InChIKey is UDDPINDYSJGDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-3-13-14(19)18(10-4-9-17-2)15(20-13)11-5-7-12(16)8-6-11/h5-8,13,15,17H,3-4,9-10H2,1-2H3.
What are the key properties of 5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one?
5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one has a molecular weight of 296.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 24715636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).