ethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate

C15H20N2O2S — CID 70635873

IUPACethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate
SMILESCCOC(=O)C(C)C1CS/C(=N\c2ccccc2)N1C
InChIInChI=1S/C15H20N2O2S/c1-4-19-14(18)11(2)13-10-20-15(17(13)3)16-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3/b16-15-
InChIKeyOWUZBVSMZOFMFH-NXVVXOECSA-N
MW292.40 g/mol
LogP2.92
Rot. Bonds4

About ethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate

ethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate (PubChem CID 70635873) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is ethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate
PubChem CID70635873
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Nameethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate
SMILESCCOC(=O)C(C)C1CS/C(=N\c2ccccc2)N1C
InChIInChI=1S/C15H20N2O2S/c1-4-19-14(18)11(2)13-10-20-15(17(13)3)16-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3/b16-15-
InChIKeyOWUZBVSMZOFMFH-NXVVXOECSA-N
XLogP2.92
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate?
The IUPAC name of ethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate (CID 70635873) is ethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate.
What is the SMILES notation for ethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate?
The canonical SMILES for ethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate is CCOC(=O)C(C)C1CS/C(=N\c2ccccc2)N1C.
What is the InChIKey of ethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate?
The InChIKey is OWUZBVSMZOFMFH-NXVVXOECSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-4-19-14(18)11(2)13-10-20-15(17(13)3)16-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3/b16-15-.
What are the key properties of ethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate?
ethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate has a molecular weight of 292.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)propanoate is sourced from PubChem (CID 70635873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).