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

C18H22N2O3S — CID 99964440

IUPAC(2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCCOc1cccc(-n2ccc([C@@H]3SCC(=O)N3CCOC)c2)c1
InChIInChI=1S/C18H22N2O3S/c1-3-23-16-6-4-5-15(11-16)19-8-7-14(12-19)18-20(9-10-22-2)17(21)13-24-18/h4-8,11-12,18H,3,9-10,13H2,1-2H3/t18-/m0/s1
InChIKeyTYAKUCFCVNRNCY-SFHVURJKSA-N
MW346.45 g/mol
LogP3.10
Rot. Bonds7

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

(2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (PubChem CID 99964440) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
PubChem CID99964440
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCCOc1cccc(-n2ccc([C@@H]3SCC(=O)N3CCOC)c2)c1
InChIInChI=1S/C18H22N2O3S/c1-3-23-16-6-4-5-15(11-16)19-8-7-14(12-19)18-20(9-10-22-2)17(21)13-24-18/h4-8,11-12,18H,3,9-10,13H2,1-2H3/t18-/m0/s1
InChIKeyTYAKUCFCVNRNCY-SFHVURJKSA-N
XLogP3.10
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132651476
2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132657219
2-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
(2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964964
2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3789673
3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4984570
3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3836068
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4995225
2-[1-[(4-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132654512
3-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 23938288
3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
(2S)-3-benzyl-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964306

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (CID 99964440) is (2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is CCOc1cccc(-n2ccc([C@@H]3SCC(=O)N3CCOC)c2)c1.
What is the InChIKey of (2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is TYAKUCFCVNRNCY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-23-16-6-4-5-15(11-16)19-8-7-14(12-19)18-20(9-10-22-2)17(21)13-24-18/h4-8,11-12,18H,3,9-10,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
(2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 346.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 99964440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).