2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide

C16H15N5O2S — CID 154777202

IUPAC2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
SMILES[H]/N=C(\N)N=C1NC(=O)C(CC(=O)Nc2cccc3ccccc23)S1
InChIInChI=1S/C16H15N5O2S/c17-15(18)21-16-20-14(23)12(24-16)8-13(22)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H,19,22)(H4,17,18,20,21,23)
InChIKeyARGNPSFGIFAWGD-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.65
Rot. Bonds3

About 2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide

2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide (PubChem CID 154777202) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
PubChem CID154777202
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
SMILES[H]/N=C(\N)N=C1NC(=O)C(CC(=O)Nc2cccc3ccccc23)S1
InChIInChI=1S/C16H15N5O2S/c17-15(18)21-16-20-14(23)12(24-16)8-13(22)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H,19,22)(H4,17,18,20,21,23)
InChIKeyARGNPSFGIFAWGD-UHFFFAOYSA-N
XLogP1.65
TPSA120.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-1-yl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135673184
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135836409
2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691756
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135692156
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135738827
2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691920
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691919
N-(1,3-benzodioxol-5-yl)-2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 154777200
1-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)guanidine
CID 146674376
butyl 4-[[2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
CID 154777176
N-(2-aminophenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135989803
(1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
CID 138376648

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide (CID 154777202) is 2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide is [H]/N=C(\N)N=C1NC(=O)C(CC(=O)Nc2cccc3ccccc23)S1.
What is the InChIKey of 2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide?
The InChIKey is ARGNPSFGIFAWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c17-15(18)21-16-20-14(23)12(24-16)8-13(22)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H,19,22)(H4,17,18,20,21,23).
What are the key properties of 2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide?
2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide has a molecular weight of 341.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 154777202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).