3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one

C13H16N2O2S — CID 3688326

IUPAC3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CS/C1=N\c1ccccc1
InChIInChI=1S/C13H16N2O2S/c1-17-9-5-8-15-12(16)10-18-13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3/b14-13-
InChIKeyPOEXBSZEHJEQAN-YPKPFQOOSA-N
MW264.35 g/mol
LogP2.29
Rot. Bonds5

About 3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one

3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 3688326) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID3688326
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CS/C1=N\c1ccccc1
InChIInChI=1S/C13H16N2O2S/c1-17-9-5-8-15-12(16)10-18-13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3/b14-13-
InChIKeyPOEXBSZEHJEQAN-YPKPFQOOSA-N
XLogP2.29
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 3688326) is 3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one is COCCCN1C(=O)CS/C1=N\c1ccccc1.
What is the InChIKey of 3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is POEXBSZEHJEQAN-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-17-9-5-8-15-12(16)10-18-13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3/b14-13-.
What are the key properties of 3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one?
3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 264.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 3688326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).