N-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C15H17N3O3S — CID 2938655

IUPACN-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1/SC(CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1C
InChIInChI=1S/C15H17N3O3S/c1-9(19)10-4-6-11(7-5-10)17-13(20)8-12-14(21)18(3)15(16-2)22-12/h4-7,12H,8H2,1-3H3,(H,17,20)/b16-15+
InChIKeyNYXHPFHXLCHMOS-FOCLMDBBSA-N
MW319.39 g/mol
LogP1.78
Rot. Bonds4

About N-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 2938655) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID2938655
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1/SC(CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1C
InChIInChI=1S/C15H17N3O3S/c1-9(19)10-4-6-11(7-5-10)17-13(20)8-12-14(21)18(3)15(16-2)22-12/h4-7,12H,8H2,1-3H3,(H,17,20)/b16-15+
InChIKeyNYXHPFHXLCHMOS-FOCLMDBBSA-N
XLogP1.78
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
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 N-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 2938655) is N-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is C/N=C1/SC(CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1C.
What is the InChIKey of N-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is NYXHPFHXLCHMOS-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9(19)10-4-6-11(7-5-10)17-13(20)8-12-14(21)18(3)15(16-2)22-12/h4-7,12H,8H2,1-3H3,(H,17,20)/b16-15+.
What are the key properties of N-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 319.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 2938655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).