(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one

C15H16N2O2S — CID 99964899

IUPAC(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(-n2ccc([C@H]3SCC(=O)N3C)c2)cc1
InChIInChI=1S/C15H16N2O2S/c1-16-14(18)10-20-15(16)11-7-8-17(9-11)12-3-5-13(19-2)6-4-12/h3-9,15H,10H2,1-2H3/t15-/m1/s1
InChIKeyMAOYTQNYTJIPNW-OAHLLOKOSA-N
MW288.37 g/mol
LogP2.69
Rot. Bonds3

About (2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one

(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 99964899) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one
PubChem CID99964899
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(-n2ccc([C@H]3SCC(=O)N3C)c2)cc1
InChIInChI=1S/C15H16N2O2S/c1-16-14(18)10-20-15(16)11-7-8-17(9-11)12-3-5-13(19-2)6-4-12/h3-9,15H,10H2,1-2H3/t15-/m1/s1
InChIKeyMAOYTQNYTJIPNW-OAHLLOKOSA-N
XLogP2.69
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 132651110
2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132657219
2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132651476
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 17384306
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
(2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 99964440
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
3-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304116

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one (CID 99964899) is (2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one is COc1ccc(-n2ccc([C@H]3SCC(=O)N3C)c2)cc1.
What is the InChIKey of (2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is MAOYTQNYTJIPNW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-16-14(18)10-20-15(16)11-7-8-17(9-11)12-3-5-13(19-2)6-4-12/h3-9,15H,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one?
(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 288.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 99964899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).