N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide

C20H29FN4O2S — CID 78604135

IUPACN-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCN2C(=O)C(CC)SC2c2ccccc2F)CC1
InChIInChI=1S/C20H29FN4O2S/c1-3-17-18(26)25(19(28-17)15-7-5-6-8-16(15)21)14-11-23-9-12-24(13-10-23)20(27)22-4-2/h5-8,17,19H,3-4,9-14H2,1-2H3,(H,22,27)
InChIKeyAABYBWCGWIVTTN-UHFFFAOYSA-N
MW408.54 g/mol
LogP2.53
Rot. Bonds6

About N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide

N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide (PubChem CID 78604135) has the molecular formula C20H29FN4O2S and a molecular weight of 408.54 g/mol. Its IUPAC name is N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide
PubChem CID78604135
Molecular FormulaC20H29FN4O2S
Molecular Weight408.54 g/mol
Exact Mass408.20
IUPAC NameN-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCN2C(=O)C(CC)SC2c2ccccc2F)CC1
InChIInChI=1S/C20H29FN4O2S/c1-3-17-18(26)25(19(28-17)15-7-5-6-8-16(15)21)14-11-23-9-12-24(13-10-23)20(27)22-4-2/h5-8,17,19H,3-4,9-14H2,1-2H3,(H,22,27)
InChIKeyAABYBWCGWIVTTN-UHFFFAOYSA-N
XLogP2.53
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4878898
1-Piperazinecarboxamide, 4-methyl-N-((5-oxo-1-(phenylmethyl)-3-pyrrolidinyl)methyl)-
CID 3025487
2-(2-Fluoro-phenyl)-3-(2-piperidin-1-yl-ethyl)-thiazolidin-4-one
CID 2881472
5-Oxo-tetrahydro-thiophene-3-carboxylic acid cyclohexylcarbamoylmethyl-(4-fluoro-benzyl)-amide
CID 3219503
N-{(2S)-1-[(4-fluorobenzyl)amino]-1-oxopropan-2-yl}-1-(L-methionyl)piperidine-4-carboxamide
CID 16402081
N-{(2S)-1-[(2-fluorobenzyl)amino]-3-methyl-1-oxobutan-2-yl}-1-(L-methionyl)piperidine-4-carboxamide
CID 16402898
3-(2-Aminoethylsulfanyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione;hydrochloride
CID 2983154
N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 10097031
US10065972, Example 482
CID 136214095
1-(2-fluorobenzyl)-6-oxo-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-3-piperidinecarboxamide
CID 24794344
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 3344552
2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4139193

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide (CID 78604135) is N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(CCN2C(=O)C(CC)SC2c2ccccc2F)CC1.
What is the InChIKey of N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is AABYBWCGWIVTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2S/c1-3-17-18(26)25(19(28-17)15-7-5-6-8-16(15)21)14-11-23-9-12-24(13-10-23)20(27)22-4-2/h5-8,17,19H,3-4,9-14H2,1-2H3,(H,22,27).
What are the key properties of N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide?
N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-[5-ethyl-2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 78604135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).