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

C12H12N4O5S — CID 86261510

IUPAC2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S1
InChIInChI=1S/C12H12N4O5S/c1-21-6-2-3-7(8(4-6)16(19)20)14-10(17)5-9-11(18)15-12(13)22-9/h2-4,9H,5H2,1H3,(H,14,17)(H2,13,15,18)
InChIKeyKJVRXZNLRKEHCT-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.10
Rot. Bonds5

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

2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 86261510) has the molecular formula C12H12N4O5S and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID86261510
Molecular FormulaC12H12N4O5S
Molecular Weight324.32 g/mol
Exact Mass324.05
IUPAC Name2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S1
InChIInChI=1S/C12H12N4O5S/c1-21-6-2-3-7(8(4-6)16(19)20)14-10(17)5-9-11(18)15-12(13)22-9/h2-4,9H,5H2,1H3,(H,14,17)(H2,13,15,18)
InChIKeyKJVRXZNLRKEHCT-UHFFFAOYSA-N
XLogP1.10
TPSA134.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5R)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 135691955
N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725332
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 154776623
2-[2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 135453664
2-[(5S)-2-(4-chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 136828528
2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 135444380
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 86261442
2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 5037401
N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 7987571
methyl 2-[[2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
CID 140511252
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7090735
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 86261510) is 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide is [H]/N=C1\NC(=O)C(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S1.
What is the InChIKey of 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is KJVRXZNLRKEHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O5S/c1-21-6-2-3-7(8(4-6)16(19)20)14-10(17)5-9-11(18)15-12(13)22-9/h2-4,9H,5H2,1H3,(H,14,17)(H2,13,15,18).
What are the key properties of 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 324.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 86261510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).