N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide

C16H18F2N2O2S — CID 24711904

IUPACN-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide
SMILESCC1SC(c2ccc(F)cc2F)N(CCC(=O)NC2CC2)C1=O
InChIInChI=1S/C16H18F2N2O2S/c1-9-15(22)20(7-6-14(21)19-11-3-4-11)16(23-9)12-5-2-10(17)8-13(12)18/h2,5,8-9,11,16H,3-4,6-7H2,1H3,(H,19,21)
InChIKeyBSBIPWFRUXCSQX-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.60
Rot. Bonds5

About N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide

N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide (PubChem CID 24711904) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide
PubChem CID24711904
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC NameN-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide
SMILESCC1SC(c2ccc(F)cc2F)N(CCC(=O)NC2CC2)C1=O
InChIInChI=1S/C16H18F2N2O2S/c1-9-15(22)20(7-6-14(21)19-11-3-4-11)16(23-9)12-5-2-10(17)8-13(12)18/h2,5,8-9,11,16H,3-4,6-7H2,1H3,(H,19,21)
InChIKeyBSBIPWFRUXCSQX-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide (CID 24711904) is N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide is CC1SC(c2ccc(F)cc2F)N(CCC(=O)NC2CC2)C1=O.
What is the InChIKey of N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The InChIKey is BSBIPWFRUXCSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c1-9-15(22)20(7-6-14(21)19-11-3-4-11)16(23-9)12-5-2-10(17)8-13(12)18/h2,5,8-9,11,16H,3-4,6-7H2,1H3,(H,19,21).
What are the key properties of N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide?
N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide has a molecular weight of 340.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide is sourced from PubChem (CID 24711904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).