ethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate

C13H17NO3S2 — CID 19905260

IUPACethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSCN1CCC(=O)c1cccs1
InChIInChI=1S/C13H17NO3S2/c1-2-17-13(16)10-8-18-9-14(10)6-5-11(15)12-4-3-7-19-12/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyPUZJIIGOIUKMSA-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.26
Rot. Bonds6

About ethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate

ethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 19905260) has the molecular formula C13H17NO3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is ethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate
PubChem CID19905260
Molecular FormulaC13H17NO3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Nameethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSCN1CCC(=O)c1cccs1
InChIInChI=1S/C13H17NO3S2/c1-2-17-13(16)10-8-18-9-14(10)6-5-11(15)12-4-3-7-19-12/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyPUZJIIGOIUKMSA-UHFFFAOYSA-N
XLogP2.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate (CID 19905260) is ethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1CSCN1CCC(=O)c1cccs1.
What is the InChIKey of ethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is PUZJIIGOIUKMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S2/c1-2-17-13(16)10-8-18-9-14(10)6-5-11(15)12-4-3-7-19-12/h3-4,7,10H,2,5-6,8-9H2,1H3.
What are the key properties of ethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate?
ethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 299.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-oxo-3-thiophen-2-ylpropyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 19905260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).