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

C20H31NO3S — CID 7249402

IUPAC(3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one
SMILESCOc1cccc([C@H]2SCCN2C(=O)C[C@H](C)CC(C)(C)C)c1OC
InChIInChI=1S/C20H31NO3S/c1-14(13-20(2,3)4)12-17(22)21-10-11-25-19(21)15-8-7-9-16(23-5)18(15)24-6/h7-9,14,19H,10-13H2,1-6H3/t14-,19+/m0/s1
InChIKeyJTGYBQUOJPZSDW-IFXJQAMLSA-N
MW365.54 g/mol
LogP4.74
Rot. Bonds6

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

(3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one (PubChem CID 7249402) has the molecular formula C20H31NO3S and a molecular weight of 365.54 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one
PubChem CID7249402
Molecular FormulaC20H31NO3S
Molecular Weight365.54 g/mol
Exact Mass365.20
IUPAC Name(3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one
SMILESCOc1cccc([C@H]2SCCN2C(=O)C[C@H](C)CC(C)(C)C)c1OC
InChIInChI=1S/C20H31NO3S/c1-14(13-20(2,3)4)12-17(22)21-10-11-25-19(21)15-8-7-9-16(23-5)18(15)24-6/h7-9,14,19H,10-13H2,1-6H3/t14-,19+/m0/s1
InChIKeyJTGYBQUOJPZSDW-IFXJQAMLSA-N
XLogP4.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-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-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 3320188
(3S)-1-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one
CID 7396917
(3R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one
CID 1024514
(3R)-3,5,5-trimethyl-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 816120
(3S)-3,5,5-trimethyl-1-[(2R)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 816119
3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one
CID 4258928
(4-bromophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7400369
N-(2,6-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5240782
[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone
CID 4526194
(3-bromophenyl)-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7217585
(3-chlorophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7398635
(2S)-2-(2,3-dimethoxyphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7236871

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one?
The IUPAC name of (3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one (CID 7249402) is (3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one.
What is the SMILES notation for (3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one?
The canonical SMILES for (3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one is COc1cccc([C@H]2SCCN2C(=O)C[C@H](C)CC(C)(C)C)c1OC.
What is the InChIKey of (3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one?
The InChIKey is JTGYBQUOJPZSDW-IFXJQAMLSA-N. The full InChI is InChI=1S/C20H31NO3S/c1-14(13-20(2,3)4)12-17(22)21-10-11-25-19(21)15-8-7-9-16(23-5)18(15)24-6/h7-9,14,19H,10-13H2,1-6H3/t14-,19+/m0/s1.
What are the key properties of (3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one?
(3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one has a molecular weight of 365.54 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one is sourced from PubChem (CID 7249402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).