1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea

C17H24FN3O2S — CID 78604167

IUPAC1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)CCN1C(=O)C(C)SC1c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O2S/c1-4-9-19-17(23)20(3)10-11-21-15(22)12(2)24-16(21)13-5-7-14(18)8-6-13/h5-8,12,16H,4,9-11H2,1-3H3,(H,19,23)
InChIKeyJDLIYUNQFOPRJO-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea

1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea (PubChem CID 78604167) has the molecular formula C17H24FN3O2S and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea
PubChem CID78604167
Molecular FormulaC17H24FN3O2S
Molecular Weight353.46 g/mol
Exact Mass353.16
IUPAC Name1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)CCN1C(=O)C(C)SC1c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O2S/c1-4-9-19-17(23)20(3)10-11-21-15(22)12(2)24-16(21)13-5-7-14(18)8-6-13/h5-8,12,16H,4,9-11H2,1-3H3,(H,19,23)
InChIKeyJDLIYUNQFOPRJO-UHFFFAOYSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea?
The IUPAC name of 1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea (CID 78604167) is 1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea.
What is the SMILES notation for 1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea?
The canonical SMILES for 1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea is CCCNC(=O)N(C)CCN1C(=O)C(C)SC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea?
The InChIKey is JDLIYUNQFOPRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2S/c1-4-9-19-17(23)20(3)10-11-21-15(22)12(2)24-16(21)13-5-7-14(18)8-6-13/h5-8,12,16H,4,9-11H2,1-3H3,(H,19,23).
What are the key properties of 1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea?
1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea has a molecular weight of 353.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propylurea is sourced from PubChem (CID 78604167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).