1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone

C20H23NO4S — CID 7361600

IUPAC1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCS[C@@H]2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H23NO4S/c1-23-15-6-4-14(5-7-15)12-19(22)21-10-11-26-20(21)17-9-8-16(24-2)13-18(17)25-3/h4-9,13,20H,10-12H2,1-3H3/t20-/m1/s1
InChIKeyLRXNQLBKRQBFDY-HXUWFJFHSA-N
MW373.47 g/mol
LogP3.53
Rot. Bonds6

About 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone

1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 7361600) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID7361600
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCS[C@@H]2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H23NO4S/c1-23-15-6-4-14(5-7-15)12-19(22)21-10-11-26-20(21)17-9-8-16(24-2)13-18(17)25-3/h4-9,13,20H,10-12H2,1-3H3/t20-/m1/s1
InChIKeyLRXNQLBKRQBFDY-HXUWFJFHSA-N
XLogP3.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 4567893
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
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 122345649
2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 3488865
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7218707
2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone
CID 5079864
[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
CID 4160929
2-[4-(trifluoromethyl)phenyl]-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122330845
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014
1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 7262533

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone (CID 7361600) is 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCS[C@@H]2c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is LRXNQLBKRQBFDY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-23-15-6-4-14(5-7-15)12-19(22)21-10-11-26-20(21)17-9-8-16(24-2)13-18(17)25-3/h4-9,13,20H,10-12H2,1-3H3/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone?
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 373.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 7361600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).