ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide

C14H19BrN2O3S — CID 3065228

IUPACethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)C1CSC(c2ccccc2)N1C(=O)CN
InChIInChI=1S/C14H18N2O3S.BrH/c1-2-19-14(18)11-9-20-13(16(11)12(17)8-15)10-6-4-3-5-7-10;/h3-7,11,13H,2,8-9,15H2,1H3;1H
InChIKeyWDAXKUMBJJUJLW-UHFFFAOYSA-N
MW375.29 g/mol
LogP1.73
Rot. Bonds4

About ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide

ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide (PubChem CID 3065228) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide.

Molecular Properties

Compound Nameethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide
PubChem CID3065228
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Nameethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)C1CSC(c2ccccc2)N1C(=O)CN
InChIInChI=1S/C14H18N2O3S.BrH/c1-2-19-14(18)11-9-20-13(16(11)12(17)8-15)10-6-4-3-5-7-10;/h3-7,11,13H,2,8-9,15H2,1H3;1H
InChIKeyWDAXKUMBJJUJLW-UHFFFAOYSA-N
XLogP1.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide?
The IUPAC name of ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide (CID 3065228) is ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide.
What is the SMILES notation for ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide?
The canonical SMILES for ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide is Br.CCOC(=O)C1CSC(c2ccccc2)N1C(=O)CN.
What is the InChIKey of ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide?
The InChIKey is WDAXKUMBJJUJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S.BrH/c1-2-19-14(18)11-9-20-13(16(11)12(17)8-15)10-6-4-3-5-7-10;/h3-7,11,13H,2,8-9,15H2,1H3;1H.
What are the key properties of ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide?
ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide has a molecular weight of 375.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate;hydrobromide is sourced from PubChem (CID 3065228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).