ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate

C21H24N2O4S — CID 7297696

IUPACethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCS[C@@H]1c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H24N2O4S/c1-2-26-19(24)14-22-21(25)23-12-13-28-20(23)17-10-6-7-11-18(17)27-15-16-8-4-3-5-9-16/h3-11,20H,2,12-15H2,1H3,(H,22,25)/t20-/m1/s1
InChIKeyVPSTZHWUIFVAQF-HXUWFJFHSA-N
MW400.50 g/mol
LogP3.59
Rot. Bonds7

About ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate

ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate (PubChem CID 7297696) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
PubChem CID7297696
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Nameethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCS[C@@H]1c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H24N2O4S/c1-2-26-19(24)14-22-21(25)23-12-13-28-20(23)17-10-6-7-11-18(17)27-15-16-8-4-3-5-9-16/h3-11,20H,2,12-15H2,1H3,(H,22,25)/t20-/m1/s1
InChIKeyVPSTZHWUIFVAQF-HXUWFJFHSA-N
XLogP3.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate 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

(2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025935
N-(2-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3443651
3,3-dimethyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 4113607
N-(2-ethylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5069506
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 7271195
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-2-thiophen-2-ylethanone
CID 93115036
(2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 1025017
2-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 5240450
2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 3488865
(2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4065802
naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3647053
N-benzyl-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3596546

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate (CID 7297696) is ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCS[C@@H]1c1ccccc1OCc1ccccc1.
What is the InChIKey of ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The InChIKey is VPSTZHWUIFVAQF-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-2-26-19(24)14-22-21(25)23-12-13-28-20(23)17-10-6-7-11-18(17)27-15-16-8-4-3-5-9-16/h3-11,20H,2,12-15H2,1H3,(H,22,25)/t20-/m1/s1.
What are the key properties of ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate has a molecular weight of 400.50 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 7297696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).