2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C19H12N4O5S — CID 2208215

IUPAC2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H12N4O5S/c24-15(21-19-20-13(10-29-19)11-5-2-1-3-6-11)9-22-17(25)12-7-4-8-14(23(27)28)16(12)18(22)26/h1-8,10H,9H2,(H,20,21,24)
InChIKeyZUYCSLRVOXMYBM-UHFFFAOYSA-N
MW408.40 g/mol
LogP2.95
Rot. Bonds5

About 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2208215) has the molecular formula C19H12N4O5S and a molecular weight of 408.40 g/mol. Its IUPAC name is 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2208215
Molecular FormulaC19H12N4O5S
Molecular Weight408.40 g/mol
Exact Mass408.05
IUPAC Name2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H12N4O5S/c24-15(21-19-20-13(10-29-19)11-5-2-1-3-6-11)9-22-17(25)12-7-4-8-14(23(27)28)16(12)18(22)26/h1-8,10H,9H2,(H,20,21,24)
InChIKeyZUYCSLRVOXMYBM-UHFFFAOYSA-N
XLogP2.95
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 2208215) is 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZUYCSLRVOXMYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O5S/c24-15(21-19-20-13(10-29-19)11-5-2-1-3-6-11)9-22-17(25)12-7-4-8-14(23(27)28)16(12)18(22)26/h1-8,10H,9H2,(H,20,21,24).
What are the key properties of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 408.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2208215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).