1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone

C19H21NO3S — CID 4567893

IUPAC1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
SMILESCOc1ccc(C2SCCN2C(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C19H21NO3S/c1-22-15-8-9-16(17(13-15)23-2)19-20(10-11-24-19)18(21)12-14-6-4-3-5-7-14/h3-9,13,19H,10-12H2,1-2H3
InChIKeyNVNDARMOMUMUSL-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.52
Rot. Bonds5

About 1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone

1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone (PubChem CID 4567893) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
PubChem CID4567893
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
SMILESCOc1ccc(C2SCCN2C(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C19H21NO3S/c1-22-15-8-9-16(17(13-15)23-2)19-20(10-11-24-19)18(21)12-14-6-4-3-5-7-14/h3-9,13,19H,10-12H2,1-2H3
InChIKeyNVNDARMOMUMUSL-UHFFFAOYSA-N
XLogP3.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600
2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 3488865
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 7413566
1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7361597
[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014
3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330600
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 122345649
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7218707
1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 7262533
[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
CID 4160929
(3,5-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7256737

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
The IUPAC name of 1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone (CID 4567893) is 1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone is COc1ccc(C2SCCN2C(=O)Cc2ccccc2)c(OC)c1.
What is the InChIKey of 1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
The InChIKey is NVNDARMOMUMUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-22-15-8-9-16(17(13-15)23-2)19-20(10-11-24-19)18(21)12-14-6-4-3-5-7-14/h3-9,13,19H,10-12H2,1-2H3.
What are the key properties of 1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone has a molecular weight of 343.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone is sourced from PubChem (CID 4567893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).