2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide

C18H15N5O4S — CID 46935060

IUPAC2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C18H15N5O4S/c24-16(10-21-15-7-6-14(23(26)27)8-13(15)9-19-21)20-22-17(25)11-28-18(22)12-4-2-1-3-5-12/h1-9,18H,10-11H2,(H,20,24)
InChIKeyZWGQLRYHHQASFP-UHFFFAOYSA-N
MW397.42 g/mol
LogP2.25
Rot. Bonds5

About 2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide

2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide (PubChem CID 46935060) has the molecular formula C18H15N5O4S and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
PubChem CID46935060
Molecular FormulaC18H15N5O4S
Molecular Weight397.42 g/mol
Exact Mass397.08
IUPAC Name2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C18H15N5O4S/c24-16(10-21-15-7-6-14(23(26)27)8-13(15)9-19-21)20-22-17(25)11-28-18(22)12-4-2-1-3-5-12/h1-9,18H,10-11H2,(H,20,24)
InChIKeyZWGQLRYHHQASFP-UHFFFAOYSA-N
XLogP2.25
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 52.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of 2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide (CID 46935060) is 2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for 2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for 2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide is O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CSC1c1ccccc1.
What is the InChIKey of 2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is ZWGQLRYHHQASFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4S/c24-16(10-21-15-7-6-14(23(26)27)8-13(15)9-19-21)20-22-17(25)11-28-18(22)12-4-2-1-3-5-12/h1-9,18H,10-11H2,(H,20,24).
What are the key properties of 2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 397.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 46935060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).