diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate

C19H33NO5S — CID 89483188

IUPACdiethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate
SMILESCCCCCCCCCC(=O)N1C(C(=O)OCC)CSC1C(=O)OCC
InChIInChI=1S/C19H33NO5S/c1-4-7-8-9-10-11-12-13-16(21)20-15(18(22)24-5-2)14-26-17(20)19(23)25-6-3/h15,17H,4-14H2,1-3H3
InChIKeyJUZYXMMUJLZZRP-UHFFFAOYSA-N
MW387.54 g/mol
LogP3.52
Rot. Bonds12

About diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate

diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate (PubChem CID 89483188) has the molecular formula C19H33NO5S and a molecular weight of 387.54 g/mol. Its IUPAC name is diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate
PubChem CID89483188
Molecular FormulaC19H33NO5S
Molecular Weight387.54 g/mol
Exact Mass387.21
IUPAC Namediethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate
SMILESCCCCCCCCCC(=O)N1C(C(=O)OCC)CSC1C(=O)OCC
InChIInChI=1S/C19H33NO5S/c1-4-7-8-9-10-11-12-13-16(21)20-15(18(22)24-5-2)14-26-17(20)19(23)25-6-3/h15,17H,4-14H2,1-3H3
InChIKeyJUZYXMMUJLZZRP-UHFFFAOYSA-N
XLogP3.52
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.54
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-cyclohexyl-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 42729761
ethyl 3-hexyl-1,3-thiazolidine-4-carboxylate
CID 3762108
3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792861
2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792526
butyl 3-butanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 42748996
CID 87572227
CID 87572227
ethyl tetradecanoate
CID 89052756
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl undecanoate
CID 12327
propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate
CID 7439910
ethyl decanoate;methanol
CID 161391102
butyl (2S,4R)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7296605

Frequently Asked Questions

What is the IUPAC name of diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate?
The IUPAC name of diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate (CID 89483188) is diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate.
What is the SMILES notation for diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate?
The canonical SMILES for diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate is CCCCCCCCCC(=O)N1C(C(=O)OCC)CSC1C(=O)OCC.
What is the InChIKey of diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate?
The InChIKey is JUZYXMMUJLZZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO5S/c1-4-7-8-9-10-11-12-13-16(21)20-15(18(22)24-5-2)14-26-17(20)19(23)25-6-3/h15,17H,4-14H2,1-3H3.
What are the key properties of diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate?
diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate has a molecular weight of 387.54 g/mol, XLogP of 3.52, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate is sourced from PubChem (CID 89483188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).