N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C12H13N3O2S — CID 138376643

IUPACN-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1/NC(=O)C(CC(=O)NCc2ccccc2)S1
InChIInChI=1S/C12H13N3O2S/c13-12-15-11(17)9(18-12)6-10(16)14-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,16)(H2,13,15,17)
InChIKeyDDIPBYADEICMPZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.86
Rot. Bonds4

About N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 138376643) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID138376643
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1/NC(=O)C(CC(=O)NCc2ccccc2)S1
InChIInChI=1S/C12H13N3O2S/c13-12-15-11(17)9(18-12)6-10(16)14-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,16)(H2,13,15,17)
InChIKeyDDIPBYADEICMPZ-UHFFFAOYSA-N
XLogP0.86
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 2859342
2,5-dioxo-1-(2-phenylethyl)-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 4370839
3-Benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508
2-Phenyl-1,3-thiazolidin-4-one
CID 290165
N-[4-acetyl-5-(4-fluorophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 2881296
N-benzyl-2-[(5-hydroxy-6-methyl-1,2,4-triazin-3-yl)thio]acetamide
CID 135402510
2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide
CID 135439868
N-[4-acetyl-5-(4-methylphenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 2872297
3-[(2-Aminoethyl)thio]-1-(4-fluorobenzyl)-2,5-pyrrolidinedione
CID 2983154
ST093069
CID 2729933
N-benzyl-2-[(2E)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3147895
N-benzyl-2-[(5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio]acetamide
CID 135445462

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 138376643) is N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is [H]/N=C1/NC(=O)C(CC(=O)NCc2ccccc2)S1.
What is the InChIKey of N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is DDIPBYADEICMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-12-15-11(17)9(18-12)6-10(16)14-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,16)(H2,13,15,17).
What are the key properties of N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 263.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 138376643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).