2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one

C18H18N2O2S — CID 135989041

IUPAC2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\c2ccc(Oc3ccccc3)cc2)NC1=O
InChIInChI=1S/C18H18N2O2S/c1-12(2)16-17(21)20-18(23-16)19-13-8-10-15(11-9-13)22-14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,19,20,21)
InChIKeyAOERORFATRLODK-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.35
Rot. Bonds4

About 2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one

2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135989041) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135989041
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\c2ccc(Oc3ccccc3)cc2)NC1=O
InChIInChI=1S/C18H18N2O2S/c1-12(2)16-17(21)20-18(23-16)19-13-8-10-15(11-9-13)22-14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,19,20,21)
InChIKeyAOERORFATRLODK-UHFFFAOYSA-N
XLogP4.35
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
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 2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135989041) is 2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1S/C(=N\c2ccc(Oc3ccccc3)cc2)NC1=O.
What is the InChIKey of 2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is AOERORFATRLODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12(2)16-17(21)20-18(23-16)19-13-8-10-15(11-9-13)22-14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 326.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).