(2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one

C19H29NO3S — CID 7398758

IUPAC(2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
SMILESCCCC[C@@H](CC)C(=O)N1CCS[C@H]1c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H29NO3S/c1-5-7-8-14(6-2)18(21)20-9-10-24-19(20)15-11-16(22-3)13-17(12-15)23-4/h11-14,19H,5-10H2,1-4H3/t14-,19+/m1/s1
InChIKeyGNSRUBBAMDFERF-KUHUBIRLSA-N
MW351.51 g/mol
LogP4.49
Rot. Bonds8

About (2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one

(2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one (PubChem CID 7398758) has the molecular formula C19H29NO3S and a molecular weight of 351.51 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
PubChem CID7398758
Molecular FormulaC19H29NO3S
Molecular Weight351.51 g/mol
Exact Mass351.19
IUPAC Name(2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
SMILESCCCC[C@@H](CC)C(=O)N1CCS[C@H]1c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H29NO3S/c1-5-7-8-14(6-2)18(21)20-9-10-24-19(20)15-11-16(22-3)13-17(12-15)23-4/h11-14,19H,5-10H2,1-4H3/t14-,19+/m1/s1
InChIKeyGNSRUBBAMDFERF-KUHUBIRLSA-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 (2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one with MolForge

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Related Compounds

(2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7249096
2-chloro-1-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 42781087
(2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 1024533
(2R)-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7411665
(2S)-2-ethyl-1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 93114988
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
(2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7355994
(3R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one
CID 1024514
2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
(2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781086
1-[(2R)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 1024512

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one?
The IUPAC name of (2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one (CID 7398758) is (2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one.
What is the SMILES notation for (2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one?
The canonical SMILES for (2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one is CCCC[C@@H](CC)C(=O)N1CCS[C@H]1c1cc(OC)cc(OC)c1.
What is the InChIKey of (2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one?
The InChIKey is GNSRUBBAMDFERF-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H29NO3S/c1-5-7-8-14(6-2)18(21)20-9-10-24-19(20)15-11-16(22-3)13-17(12-15)23-4/h11-14,19H,5-10H2,1-4H3/t14-,19+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one?
(2R)-1-[(2S)-2-(3,5-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 (2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one is sourced from PubChem (CID 7398758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).