benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate

C17H20N2O5S2 — CID 70387236

IUPACbenzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)C1CSC(C(=O)OCc2ccccc2)N1
InChIInChI=1S/C17H20N2O5S2/c1-23-16(21)13-9-25-10-19(13)15(20)12-8-26-14(18-12)17(22)24-7-11-5-3-2-4-6-11/h2-6,12-14,18H,7-10H2,1H3
InChIKeyPYJHGKJHLHALPG-UHFFFAOYSA-N
MW396.49 g/mol
LogP0.84
Rot. Bonds5

About benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate

benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate (PubChem CID 70387236) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate
PubChem CID70387236
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Namebenzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)C1CSC(C(=O)OCc2ccccc2)N1
InChIInChI=1S/C17H20N2O5S2/c1-23-16(21)13-9-25-10-19(13)15(20)12-8-26-14(18-12)17(22)24-7-11-5-3-2-4-6-11/h2-6,12-14,18H,7-10H2,1H3
InChIKeyPYJHGKJHLHALPG-UHFFFAOYSA-N
XLogP0.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-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

benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate
CID 14556723
benzyl (2R)-2-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 139673517
methyl 3-benzyl-1,3-thiazolidine-4-carboxylate;3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 159766642
benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate
CID 14556727
benzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate
CID 14556728
methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate
CID 20624262
(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
CID 94608808
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate
CID 3023680
benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride
CID 70055979
ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate
CID 154574796
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate?
The IUPAC name of benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate (CID 70387236) is benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate.
What is the SMILES notation for benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate?
The canonical SMILES for benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate is COC(=O)C1CSCN1C(=O)C1CSC(C(=O)OCc2ccccc2)N1.
What is the InChIKey of benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate?
The InChIKey is PYJHGKJHLHALPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-23-16(21)13-9-25-10-19(13)15(20)12-8-26-14(18-12)17(22)24-7-11-5-3-2-4-6-11/h2-6,12-14,18H,7-10H2,1H3.
What are the key properties of benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate?
benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-methoxycarbonyl-1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-2-carboxylate is sourced from PubChem (CID 70387236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).