N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide

C18H15N5O5S — CID 46935061

IUPACN-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CSC1c1ccccc1O
InChIInChI=1S/C18H15N5O5S/c24-15-4-2-1-3-13(15)18-22(17(26)10-29-18)20-16(25)9-21-14-6-5-12(23(27)28)7-11(14)8-19-21/h1-8,18,24H,9-10H2,(H,20,25)
InChIKeyRKQDVKZUKLNQGN-UHFFFAOYSA-N
MW413.42 g/mol
LogP1.96
Rot. Bonds5

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

N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide (PubChem CID 46935061) has the molecular formula C18H15N5O5S and a molecular weight of 413.42 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
PubChem CID46935061
Molecular FormulaC18H15N5O5S
Molecular Weight413.42 g/mol
Exact Mass413.08
IUPAC NameN-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CSC1c1ccccc1O
InChIInChI=1S/C18H15N5O5S/c24-15-4-2-1-3-13(15)18-22(17(26)10-29-18)20-16(25)9-21-14-6-5-12(23(27)28)7-11(14)8-19-21/h1-8,18,24H,9-10H2,(H,20,25)
InChIKeyRKQDVKZUKLNQGN-UHFFFAOYSA-N
XLogP1.96
TPSA130.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
CID 46932980
N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
CID 46932981
N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
CID 46932982
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
CID 46932983
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 46935056
2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 46935060
2-(5-nitroindazol-1-yl)-N-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 46935202
2-(5-nitroindazol-1-yl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 46935203
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 135908154

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide?
The IUPAC name of N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide (CID 46935061) is N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide is O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CSC1c1ccccc1O.
What is the InChIKey of N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide?
The InChIKey is RKQDVKZUKLNQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O5S/c24-15-4-2-1-3-13(15)18-22(17(26)10-29-18)20-16(25)9-21-14-6-5-12(23(27)28)7-11(14)8-19-21/h1-8,18,24H,9-10H2,(H,20,25).
What are the key properties of N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide?
N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide has a molecular weight of 413.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 46935061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).