ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate

C19H25ClN2O3S — CID 129430234

IUPACethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate
SMILESCCOC(=O)[C@@H](C)N(CC(=O)N1CCS[C@H]1c1ccccc1Cl)C1CC1
InChIInChI=1S/C19H25ClN2O3S/c1-3-25-19(24)13(2)22(14-8-9-14)12-17(23)21-10-11-26-18(21)15-6-4-5-7-16(15)20/h4-7,13-14,18H,3,8-12H2,1-2H3/t13-,18+/m1/s1
InChIKeyAOYKNVXDZDQBCJ-ACJLOTCBSA-N
MW396.94 g/mol
LogP3.33
Rot. Bonds7

About ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate

ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate (PubChem CID 129430234) has the molecular formula C19H25ClN2O3S and a molecular weight of 396.94 g/mol. Its IUPAC name is ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate
PubChem CID129430234
Molecular FormulaC19H25ClN2O3S
Molecular Weight396.94 g/mol
Exact Mass396.13
IUPAC Nameethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate
SMILESCCOC(=O)[C@@H](C)N(CC(=O)N1CCS[C@H]1c1ccccc1Cl)C1CC1
InChIInChI=1S/C19H25ClN2O3S/c1-3-25-19(24)13(2)22(14-8-9-14)12-17(23)21-10-11-26-18(21)15-6-4-5-7-16(15)20/h4-7,13-14,18H,3,8-12H2,1-2H3/t13-,18+/m1/s1
InChIKeyAOYKNVXDZDQBCJ-ACJLOTCBSA-N
XLogP3.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate with MolForge

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Related Compounds

2-[butyl-[(3,5-difluorophenyl)methyl]amino]-1-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 93116729
[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium
CID 7414739
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 5086784
1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086898
ethyl (2S)-2-[butyl-[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]propanoate
CID 7361479
[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium
CID 7361628
ethyl (2R)-2-[[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-(3-methoxypropyl)amino]propanoate
CID 7499435
(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one
CID 122329426
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 5077564
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122329357
3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
CID 122329432
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
CID 4127667

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate?
The IUPAC name of ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate (CID 129430234) is ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate?
The canonical SMILES for ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate is CCOC(=O)[C@@H](C)N(CC(=O)N1CCS[C@H]1c1ccccc1Cl)C1CC1.
What is the InChIKey of ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate?
The InChIKey is AOYKNVXDZDQBCJ-ACJLOTCBSA-N. The full InChI is InChI=1S/C19H25ClN2O3S/c1-3-25-19(24)13(2)22(14-8-9-14)12-17(23)21-10-11-26-18(21)15-6-4-5-7-16(15)20/h4-7,13-14,18H,3,8-12H2,1-2H3/t13-,18+/m1/s1.
What are the key properties of ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate?
ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate has a molecular weight of 396.94 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate is sourced from PubChem (CID 129430234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).