(2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one

C19H29NO3S — CID 7249096

IUPAC(2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
SMILESCCCC[C@H](CC)C(=O)N1CCS[C@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C19H29NO3S/c1-5-7-8-14(6-2)18(21)20-11-12-24-19(20)16-10-9-15(22-3)13-17(16)23-4/h9-10,13-14,19H,5-8,11-12H2,1-4H3/t14-,19-/m0/s1
InChIKeyZQRAUUOLYIFDCD-LIRRHRJNSA-N
MW351.51 g/mol
LogP4.49
Rot. Bonds8

About (2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one

(2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one (PubChem CID 7249096) has the molecular formula C19H29NO3S and a molecular weight of 351.51 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
PubChem CID7249096
Molecular FormulaC19H29NO3S
Molecular Weight351.51 g/mol
Exact Mass351.19
IUPAC Name(2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
SMILESCCCC[C@H](CC)C(=O)N1CCS[C@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C19H29NO3S/c1-5-7-8-14(6-2)18(21)20-11-12-24-19(20)16-10-9-15(22-3)13-17(16)23-4/h9-10,13-14,19H,5-8,11-12H2,1-4H3/t14-,19-/m0/s1
InChIKeyZQRAUUOLYIFDCD-LIRRHRJNSA-N
XLogP4.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7361597
(2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7398758
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 7413566
(2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7355994
[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
CID 4160929
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600
2-ethyl-1-[2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 3309576
(2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 7439629
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 4567893
(2S)-2-ethyl-1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 93114988
[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one?
The IUPAC name of (2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one (CID 7249096) is (2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one.
What is the SMILES notation for (2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one?
The canonical SMILES for (2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one is CCCC[C@H](CC)C(=O)N1CCS[C@H]1c1ccc(OC)cc1OC.
What is the InChIKey of (2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one?
The InChIKey is ZQRAUUOLYIFDCD-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H29NO3S/c1-5-7-8-14(6-2)18(21)20-11-12-24-19(20)16-10-9-15(22-3)13-17(16)23-4/h9-10,13-14,19H,5-8,11-12H2,1-4H3/t14-,19-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one?
(2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one has a molecular weight of 351.51 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one is sourced from PubChem (CID 7249096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).