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

C17H20N2OS — CID 132650128

IUPAC3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1ccc(C2SCC(=O)N2CC)c1
InChIInChI=1S/C17H20N2OS/c1-3-13-7-5-6-8-15(13)18-10-9-14(11-18)17-19(4-2)16(20)12-21-17/h5-11,17H,3-4,12H2,1-2H3
InChIKeyNMBAXJNNGMMKTO-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.63
Rot. Bonds4

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

3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one (PubChem CID 132650128) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
PubChem CID132650128
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1ccc(C2SCC(=O)N2CC)c1
InChIInChI=1S/C17H20N2OS/c1-3-13-7-5-6-8-15(13)18-10-9-14(11-18)17-19(4-2)16(20)12-21-17/h5-11,17H,3-4,12H2,1-2H3
InChIKeyNMBAXJNNGMMKTO-UHFFFAOYSA-N
XLogP3.63
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
CID 132650324
(2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
CID 99964990
(2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964984
(2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964262
3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 132655339
(2S)-3-benzyl-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964306
(2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964964
2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132651476
(2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one
CID 1274539
2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3802418
(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one
CID 99964311
3-ethyl-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 3800198

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one (CID 132650128) is 3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one is CCc1ccccc1-n1ccc(C2SCC(=O)N2CC)c1.
What is the InChIKey of 3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one?
The InChIKey is NMBAXJNNGMMKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-3-13-7-5-6-8-15(13)18-10-9-14(11-18)17-19(4-2)16(20)12-21-17/h5-11,17H,3-4,12H2,1-2H3.
What are the key properties of 3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one?
3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one has a molecular weight of 300.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 132650128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).