ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate

C15H21NO2S — CID 177001709

IUPACethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(CC(C)c2ccccc2)N1
InChIInChI=1S/C15H21NO2S/c1-3-18-15(17)13-10-19-14(16-13)9-11(2)12-7-5-4-6-8-12/h4-8,11,13-14,16H,3,9-10H2,1-2H3
InChIKeyNLHRSALOJWJNBA-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.77
Rot. Bonds5

About ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate

ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 177001709) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate
PubChem CID177001709
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Nameethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(CC(C)c2ccccc2)N1
InChIInChI=1S/C15H21NO2S/c1-3-18-15(17)13-10-19-14(16-13)9-11(2)12-7-5-4-6-8-12/h4-8,11,13-14,16H,3,9-10H2,1-2H3
InChIKeyNLHRSALOJWJNBA-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate (CID 177001709) is ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1CSC(CC(C)c2ccccc2)N1.
What is the InChIKey of ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is NLHRSALOJWJNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-3-18-15(17)13-10-19-14(16-13)9-11(2)12-7-5-4-6-8-12/h4-8,11,13-14,16H,3,9-10H2,1-2H3.
What are the key properties of ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate?
ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 279.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 177001709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).