2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide

C15H18N4O3S — CID 88866106

IUPAC2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide
SMILESCC(NC(=O)C(C)N1C(=O)CS/C1=N\c1ccccc1)C(N)=O
InChIInChI=1S/C15H18N4O3S/c1-9(13(16)21)17-14(22)10(2)19-12(20)8-23-15(19)18-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,21)(H,17,22)/b18-15-
InChIKeyKHPOUIPTBKEYCB-SDXDJHTJSA-N
MW334.40 g/mol
LogP0.63
Rot. Bonds5

About 2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide

2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide (PubChem CID 88866106) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide.

Molecular Properties

Compound Name2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide
PubChem CID88866106
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide
SMILESCC(NC(=O)C(C)N1C(=O)CS/C1=N\c1ccccc1)C(N)=O
InChIInChI=1S/C15H18N4O3S/c1-9(13(16)21)17-14(22)10(2)19-12(20)8-23-15(19)18-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,21)(H,17,22)/b18-15-
InChIKeyKHPOUIPTBKEYCB-SDXDJHTJSA-N
XLogP0.63
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide?
The IUPAC name of 2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide (CID 88866106) is 2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide.
What is the SMILES notation for 2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide?
The canonical SMILES for 2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide is CC(NC(=O)C(C)N1C(=O)CS/C1=N\c1ccccc1)C(N)=O.
What is the InChIKey of 2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide?
The InChIKey is KHPOUIPTBKEYCB-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9(13(16)21)17-14(22)10(2)19-12(20)8-23-15(19)18-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,21)(H,17,22)/b18-15-.
What are the key properties of 2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide?
2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide has a molecular weight of 334.40 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide is sourced from PubChem (CID 88866106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).