[4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate

C15H17NO4S — CID 86812829

IUPAC[4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
SMILESO=C(CN1CSCC1=O)Oc1ccc(OCC2CC2)cc1
InChIInChI=1S/C15H17NO4S/c17-14-9-21-10-16(14)7-15(18)20-13-5-3-12(4-6-13)19-8-11-1-2-11/h3-6,11H,1-2,7-10H2
InChIKeySLUUQSSPNCMKDI-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.91
Rot. Bonds6

About [4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate

[4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate (PubChem CID 86812829) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
PubChem CID86812829
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name[4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
SMILESO=C(CN1CSCC1=O)Oc1ccc(OCC2CC2)cc1
InChIInChI=1S/C15H17NO4S/c17-14-9-21-10-16(14)7-15(18)20-13-5-3-12(4-6-13)19-8-11-1-2-11/h3-6,11H,1-2,7-10H2
InChIKeySLUUQSSPNCMKDI-UHFFFAOYSA-N
XLogP1.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
The IUPAC name of [4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate (CID 86812829) is [4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate.
What is the SMILES notation for [4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
The canonical SMILES for [4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate is O=C(CN1CSCC1=O)Oc1ccc(OCC2CC2)cc1.
What is the InChIKey of [4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
The InChIKey is SLUUQSSPNCMKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c17-14-9-21-10-16(14)7-15(18)20-13-5-3-12(4-6-13)19-8-11-1-2-11/h3-6,11H,1-2,7-10H2.
What are the key properties of [4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
[4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate has a molecular weight of 307.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate is sourced from PubChem (CID 86812829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).