N-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide

C18H24FN3O2S — CID 42814736

IUPACN-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(CN2C(=O)CSC2c2ccccc2F)CC1
InChIInChI=1S/C18H24FN3O2S/c1-2-20-18(24)21-9-7-13(8-10-21)11-22-16(23)12-25-17(22)14-5-3-4-6-15(14)19/h3-6,13,17H,2,7-12H2,1H3,(H,20,24)
InChIKeyMELTZPPEBOGWKD-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.84
Rot. Bonds4

About N-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide

N-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide (PubChem CID 42814736) has the molecular formula C18H24FN3O2S and a molecular weight of 365.47 g/mol. Its IUPAC name is N-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide
PubChem CID42814736
Molecular FormulaC18H24FN3O2S
Molecular Weight365.47 g/mol
Exact Mass365.16
IUPAC NameN-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(CN2C(=O)CSC2c2ccccc2F)CC1
InChIInChI=1S/C18H24FN3O2S/c1-2-20-18(24)21-9-7-13(8-10-21)11-22-16(23)12-25-17(22)14-5-3-4-6-15(14)19/h3-6,13,17H,2,7-12H2,1H3,(H,20,24)
InChIKeyMELTZPPEBOGWKD-UHFFFAOYSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide (CID 42814736) is N-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide is CCNC(=O)N1CCC(CN2C(=O)CSC2c2ccccc2F)CC1.
What is the InChIKey of N-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide?
The InChIKey is MELTZPPEBOGWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2S/c1-2-20-18(24)21-9-7-13(8-10-21)11-22-16(23)12-25-17(22)14-5-3-4-6-15(14)19/h3-6,13,17H,2,7-12H2,1H3,(H,20,24).
What are the key properties of N-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide?
N-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide has a molecular weight of 365.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 42814736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).