2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide

C17H23N3O2S — CID 3151584

IUPAC2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESCC(C)/N=C1\SC(CC(=O)Nc2ccccc2)C(=O)N1C(C)C
InChIInChI=1S/C17H23N3O2S/c1-11(2)18-17-20(12(3)4)16(22)14(23-17)10-15(21)19-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,19,21)/b18-17-
InChIKeyOCSQFVYPJRBREW-ZCXUNETKSA-N
MW333.46 g/mol
LogP3.13
Rot. Bonds5

About 2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide

2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide (PubChem CID 3151584) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
PubChem CID3151584
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESCC(C)/N=C1\SC(CC(=O)Nc2ccccc2)C(=O)N1C(C)C
InChIInChI=1S/C17H23N3O2S/c1-11(2)18-17-20(12(3)4)16(22)14(23-17)10-15(21)19-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,19,21)/b18-17-
InChIKeyOCSQFVYPJRBREW-ZCXUNETKSA-N
XLogP3.13
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.13
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-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The IUPAC name of 2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide (CID 3151584) is 2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The canonical SMILES for 2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide is CC(C)/N=C1\SC(CC(=O)Nc2ccccc2)C(=O)N1C(C)C.
What is the InChIKey of 2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The InChIKey is OCSQFVYPJRBREW-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11(2)18-17-20(12(3)4)16(22)14(23-17)10-15(21)19-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,19,21)/b18-17-.
What are the key properties of 2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide?
2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide has a molecular weight of 333.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide is sourced from PubChem (CID 3151584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).