2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone

C24H26N2O2S — CID 112772064

IUPAC2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCCc1ccc(-c2nc(CC(=O)N3CCCC3c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C24H26N2O2S/c1-3-17-6-8-19(9-7-17)24-25-20(16-29-24)15-23(27)26-14-4-5-22(26)18-10-12-21(28-2)13-11-18/h6-13,16,22H,3-5,14-15H2,1-2H3
InChIKeyVHGAKJDLSSDWKH-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.29
Rot. Bonds6

About 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 112772064) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
PubChem CID112772064
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCCc1ccc(-c2nc(CC(=O)N3CCCC3c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C24H26N2O2S/c1-3-17-6-8-19(9-7-17)24-25-20(16-29-24)15-23(27)26-14-4-5-22(26)18-10-12-21(28-2)13-11-18/h6-13,16,22H,3-5,14-15H2,1-2H3
InChIKeyVHGAKJDLSSDWKH-UHFFFAOYSA-N
XLogP5.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 46975041
1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 51600193
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 55495719
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 94041150
2-(4-chlorophenyl)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 94457878
1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 33225688
1-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 33225684
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 34737061
(3R)-1-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxamide
CID 9395795
2-[1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 71858797
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 50746973
(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371423

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone (CID 112772064) is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone is CCc1ccc(-c2nc(CC(=O)N3CCCC3c3ccc(OC)cc3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is VHGAKJDLSSDWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-3-17-6-8-19(9-7-17)24-25-20(16-29-24)15-23(27)26-14-4-5-22(26)18-10-12-21(28-2)13-11-18/h6-13,16,22H,3-5,14-15H2,1-2H3.
What are the key properties of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 406.55 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 112772064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).