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

C18H14ClN5O4S — CID 46935199

IUPACN-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CSC1c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN5O4S/c19-13-3-1-11(2-4-13)18-23(17(26)10-29-18)21-16(25)9-22-15-6-5-14(24(27)28)7-12(15)8-20-22/h1-8,18H,9-10H2,(H,21,25)
InChIKeySJWDBKWBFHCWPA-UHFFFAOYSA-N
MW431.86 g/mol
LogP2.90
Rot. Bonds5

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

N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide (PubChem CID 46935199) has the molecular formula C18H14ClN5O4S and a molecular weight of 431.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
PubChem CID46935199
Molecular FormulaC18H14ClN5O4S
Molecular Weight431.86 g/mol
Exact Mass431.05
IUPAC NameN-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CSC1c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN5O4S/c19-13-3-1-11(2-4-13)18-23(17(26)10-29-18)21-16(25)9-22-15-6-5-14(24(27)28)7-12(15)8-20-22/h1-8,18H,9-10H2,(H,21,25)
InChIKeySJWDBKWBFHCWPA-UHFFFAOYSA-N
XLogP2.90
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 52.90
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'}

Analyze N-[2-(4-chlorophenyl)-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-(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)-benzylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 46934918
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 46934920
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 46934921
2-(5-nitroindazol-1-yl)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 46934924
2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 46935055
2-(5-nitroindazol-1-yl)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 46935060
N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
CID 46935198
N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
CID 46935200
N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
CID 46935201
2-(5-nitroindazol-1-yl)-N-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 46935202

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide (CID 46935199) is N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide is O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CSC1c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide?
The InChIKey is SJWDBKWBFHCWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O4S/c19-13-3-1-11(2-4-13)18-23(17(26)10-29-18)21-16(25)9-22-15-6-5-14(24(27)28)7-12(15)8-20-22/h1-8,18H,9-10H2,(H,21,25).
What are the key properties of N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide?
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide has a molecular weight of 431.86 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 46935199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).