3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one

C14H18N2OS — CID 2840820

IUPAC3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS/C1=N/C(C)Cc1ccccc1
InChIInChI=1S/C14H18N2OS/c1-3-16-13(17)10-18-14(16)15-11(2)9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3/b15-14+
InChIKeyBNLAJLJVTJJWBR-CCEZHUSRSA-N
MW262.38 g/mol
LogP2.57
Rot. Bonds4

About 3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one

3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 2840820) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID2840820
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS/C1=N/C(C)Cc1ccccc1
InChIInChI=1S/C14H18N2OS/c1-3-16-13(17)10-18-14(16)15-11(2)9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3/b15-14+
InChIKeyBNLAJLJVTJJWBR-CCEZHUSRSA-N
XLogP2.57
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one (CID 2840820) is 3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one is CCN1C(=O)CS/C1=N/C(C)Cc1ccccc1.
What is the InChIKey of 3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is BNLAJLJVTJJWBR-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-16-13(17)10-18-14(16)15-11(2)9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3/b15-14+.
What are the key properties of 3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one?
3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 262.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2840820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).