N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide

C19H19N3O4S — CID 135410831

IUPACN-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)NC2=O)c(OC)c1
InChIInChI=1S/C19H19N3O4S/c1-25-13-8-9-14(15(10-13)26-2)21-17(23)11-16-18(24)22-19(27-16)20-12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyQXHPMWQIVLUHNI-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.95
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide (PubChem CID 135410831) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
PubChem CID135410831
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)NC2=O)c(OC)c1
InChIInChI=1S/C19H19N3O4S/c1-25-13-8-9-14(15(10-13)26-2)21-17(23)11-16-18(24)22-19(27-16)20-12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyQXHPMWQIVLUHNI-UHFFFAOYSA-N
XLogP2.95
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide (CID 135410831) is N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide is COc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)NC2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is QXHPMWQIVLUHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-25-13-8-9-14(15(10-13)26-2)21-17(23)11-16-18(24)22-19(27-16)20-12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3,(H,21,23)(H,20,22,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 135410831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).