2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one

C18H22N2O2S — CID 132651476

IUPAC2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCCc1ccc(-n2ccc(C3SCC(=O)N3CCOC)c2)cc1
InChIInChI=1S/C18H22N2O2S/c1-3-14-4-6-16(7-5-14)19-9-8-15(12-19)18-20(10-11-22-2)17(21)13-23-18/h4-9,12,18H,3,10-11,13H2,1-2H3
InChIKeyNKPGAPVSVYXAIO-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.26
Rot. Bonds6

About 2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one

2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (PubChem CID 132651476) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
PubChem CID132651476
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCCc1ccc(-n2ccc(C3SCC(=O)N3CCOC)c2)cc1
InChIInChI=1S/C18H22N2O2S/c1-3-14-4-6-16(7-5-14)19-9-8-15(12-19)18-20(10-11-22-2)17(21)13-23-18/h4-9,12,18H,3,10-11,13H2,1-2H3
InChIKeyNKPGAPVSVYXAIO-UHFFFAOYSA-N
XLogP3.26
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one 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-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132657219
(2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 99964440
(2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 99964594
(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one
CID 99964899
3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 132650128
3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 3670137
2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
CID 132650324
3-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 21204936
3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one
CID 4645389
3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
(2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964964
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (CID 132651476) is 2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is CCc1ccc(-n2ccc(C3SCC(=O)N3CCOC)c2)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is NKPGAPVSVYXAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-14-4-6-16(7-5-14)19-9-8-15(12-19)18-20(10-11-22-2)17(21)13-23-18/h4-9,12,18H,3,10-11,13H2,1-2H3.
What are the key properties of 2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 330.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 132651476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).