methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate

C15H14N2O5S — CID 95989117

IUPACmethyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSCN1C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H14N2O5S/c1-22-15(21)11-7-23-8-17(11)12(18)6-16-13(19)9-4-2-3-5-10(9)14(16)20/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKeyHSPKVTFUKZTAME-NSHDSACASA-N
MW334.35 g/mol
LogP0.36
Rot. Bonds3

About methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate

methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 95989117) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate
PubChem CID95989117
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Namemethyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSCN1C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H14N2O5S/c1-22-15(21)11-7-23-8-17(11)12(18)6-16-13(19)9-4-2-3-5-10(9)14(16)20/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKeyHSPKVTFUKZTAME-NSHDSACASA-N
XLogP0.36
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate 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

methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate
CID 20624262
methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate
CID 717639
methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate
CID 14548324
2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 86809250
methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate
CID 3023680
2-[2-oxo-2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]isoindole-1,3-dione
CID 122272798
methyl 1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazine-2-carboxylate
CID 156850093
cis-methyl (1S,2S)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate
CID 1239910
methyl (4R)-10b-hydroxy-6-oxo-3,4-dihydro-1H-[1,4]thiazino[3,4-a]isoindole-4-carboxylate
CID 102462719
2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)-1,4-thiazepan-4-yl]ethyl]isoindole-1,3-dione
CID 90568542
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 682215
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate (CID 95989117) is methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CSCN1C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is HSPKVTFUKZTAME-NSHDSACASA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-22-15(21)11-7-23-8-17(11)12(18)6-16-13(19)9-4-2-3-5-10(9)14(16)20/h2-5,11H,6-8H2,1H3/t11-/m0/s1.
What are the key properties of methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate?
methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 334.35 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 95989117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).