2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide

C19H26N2O2S — CID 42749149

IUPAC2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC1SCC(C(=O)NCCc2ccccc2)N1C(=O)C=C(C)C
InChIInChI=1S/C19H26N2O2S/c1-4-18-21(17(22)12-14(2)3)16(13-24-18)19(23)20-11-10-15-8-6-5-7-9-15/h5-9,12,16,18H,4,10-11,13H2,1-3H3,(H,20,23)
InChIKeyFPNXKGHOGXLXFI-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.99
Rot. Bonds6

About 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide

2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42749149) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42749149
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC1SCC(C(=O)NCCc2ccccc2)N1C(=O)C=C(C)C
InChIInChI=1S/C19H26N2O2S/c1-4-18-21(17(22)12-14(2)3)16(13-24-18)19(23)20-11-10-15-8-6-5-7-9-15/h5-9,12,16,18H,4,10-11,13H2,1-3H3,(H,20,23)
InChIKeyFPNXKGHOGXLXFI-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-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

2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42749157
3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744854
N-butyl-3-(3-methylbut-2-enoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745347
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748190
(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 91982515
2-pentyl-N-(2-phenylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744456
2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 3537215
2-ethyl-3-[2-(furan-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780051
1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130457
(3R)-8-methyl-N-(2-phenylethyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95892201
(4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851820
1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate
CID 171509767

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide (CID 42749149) is 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide is CCC1SCC(C(=O)NCCc2ccccc2)N1C(=O)C=C(C)C.
What is the InChIKey of 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is FPNXKGHOGXLXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-4-18-21(17(22)12-14(2)3)16(13-24-18)19(23)20-11-10-15-8-6-5-7-9-15/h5-9,12,16,18H,4,10-11,13H2,1-3H3,(H,20,23).
What are the key properties of 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide?
2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42749149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).