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

C12H13N3O3S — CID 137318888

IUPAC2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)Nc2cccc(OC)c2)S1
InChIInChI=1S/C12H13N3O3S/c1-18-8-4-2-3-7(5-8)14-10(16)6-9-11(17)15-12(13)19-9/h2-5,9H,6H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyUOAFXFFBVLYQIC-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.19
Rot. Bonds4

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

2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 137318888) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID137318888
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)Nc2cccc(OC)c2)S1
InChIInChI=1S/C12H13N3O3S/c1-18-8-4-2-3-7(5-8)14-10(16)6-9-11(17)15-12(13)19-9/h2-5,9H,6H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyUOAFXFFBVLYQIC-UHFFFAOYSA-N
XLogP1.19
TPSA91.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.19
H-Bond Donors ≤ 53
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-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide (CID 137318888) is 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide is [H]/N=C1\NC(=O)C(CC(=O)Nc2cccc(OC)c2)S1.
What is the InChIKey of 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is UOAFXFFBVLYQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-18-8-4-2-3-7(5-8)14-10(16)6-9-11(17)15-12(13)19-9/h2-5,9H,6H2,1H3,(H,14,16)(H2,13,15,17).
What are the key properties of 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide?
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 279.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 137318888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).