dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate

C18H21N3O6S2 — CID 102242946

IUPACdimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1SC[C@@H](C(=O)OC)N1NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C18H21N3O6S2/c1-26-17(24)13-9-29-16(18(25)27-2)21(13)19-14(22)12-8-28-10-20(12)15(23)11-6-4-3-5-7-11/h3-7,12-13,16H,8-10H2,1-2H3,(H,19,22)/t12-,13-,16+/m0/s1
InChIKeyAQAFRPYOXHPPLB-HEHGZKQESA-N
MW439.52 g/mol
LogP0.32
Rot. Bonds5

About dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate

dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate (PubChem CID 102242946) has the molecular formula C18H21N3O6S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate
PubChem CID102242946
Molecular FormulaC18H21N3O6S2
Molecular Weight439.52 g/mol
Exact Mass439.09
IUPAC Namedimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1SC[C@@H](C(=O)OC)N1NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C18H21N3O6S2/c1-26-17(24)13-9-29-16(18(25)27-2)21(13)19-14(22)12-8-28-10-20(12)15(23)11-6-4-3-5-7-11/h3-7,12-13,16H,8-10H2,1-2H3,(H,19,22)/t12-,13-,16+/m0/s1
InChIKeyAQAFRPYOXHPPLB-HEHGZKQESA-N
XLogP0.32
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate 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

(4R)-3-benzoyl-N-[(1S)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 3077631
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
CID 94608808
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
CID 55939179
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
(4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55942502
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
(4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55940328
3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 55511876

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate (CID 102242946) is dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate is COC(=O)[C@H]1SC[C@@H](C(=O)OC)N1NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate?
The InChIKey is AQAFRPYOXHPPLB-HEHGZKQESA-N. The full InChI is InChI=1S/C18H21N3O6S2/c1-26-17(24)13-9-29-16(18(25)27-2)21(13)19-14(22)12-8-28-10-20(12)15(23)11-6-4-3-5-7-11/h3-7,12-13,16H,8-10H2,1-2H3,(H,19,22)/t12-,13-,16+/m0/s1.
What are the key properties of dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate?
dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate has a molecular weight of 439.52 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate is sourced from PubChem (CID 102242946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).