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

C18H22N2O5S — CID 14556723

IUPACbenzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CSCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H22N2O5S/c1-24-17(22)14-8-5-9-19(14)16(21)15-11-26-12-20(15)18(23)25-10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3
InChIKeyIIFXRURCKBJZJC-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.86
Rot. Bonds4

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

benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate (PubChem CID 14556723) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate
PubChem CID14556723
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Namebenzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CSCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H22N2O5S/c1-24-17(22)14-8-5-9-19(14)16(21)15-11-26-12-20(15)18(23)25-10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3
InChIKeyIIFXRURCKBJZJC-UHFFFAOYSA-N
XLogP1.86
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
1-O-benzyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane;2-methylprop-1-ene
CID 143105082
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
1-O-benzyl 2-O-(2-phenylethyl) (2S)-pyrrolidine-1,2-dicarboxylate
CID 139386187
1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]azetidine-2-carboxylic acid
CID 14499798
(2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carbothioic S-acid
CID 22853357
benzyl (2S)-2-[4-[(1R)-3-ethoxy-1-hydroxy-3-oxopropyl]-1,3-thiazolidine-3-carbonyl]pyrrolidine-1-carboxylate
CID 54540369
1-O-benzyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91699700
benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate
CID 165341202
methyl (2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 14013749

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate?
The IUPAC name of benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate (CID 14556723) is benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate is COC(=O)C1CCCN1C(=O)C1CSCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate?
The InChIKey is IIFXRURCKBJZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-17(22)14-8-5-9-19(14)16(21)15-11-26-12-20(15)18(23)25-10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3.
What are the key properties of benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate?
benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate has a molecular weight of 378.45 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 14556723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).