2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide

C18H19N5O3S — CID 10200092

IUPAC2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
SMILESNc1ccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc23)cc1
InChIInChI=1S/C18H19N5O3S/c19-13-4-2-12(3-5-13)10-17(24)20-18-15-11-14(6-7-16(15)21-22-18)23-8-1-9-27(23,25)26/h2-7,11H,1,8-10,19H2,(H2,20,21,22,24)
InChIKeyODZNFTDJLNIURO-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.87
Rot. Bonds4

About 2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide

2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide (PubChem CID 10200092) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
PubChem CID10200092
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
SMILESNc1ccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc23)cc1
InChIInChI=1S/C18H19N5O3S/c19-13-4-2-12(3-5-13)10-17(24)20-18-15-11-14(6-7-16(15)21-22-18)23-8-1-9-27(23,25)26/h2-7,11H,1,8-10,19H2,(H2,20,21,22,24)
InChIKeyODZNFTDJLNIURO-UHFFFAOYSA-N
XLogP1.87
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide (CID 10200092) is 2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide is Nc1ccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc23)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide?
The InChIKey is ODZNFTDJLNIURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c19-13-4-2-12(3-5-13)10-17(24)20-18-15-11-14(6-7-16(15)21-22-18)23-8-1-9-27(23,25)26/h2-7,11H,1,8-10,19H2,(H2,20,21,22,24).
What are the key properties of 2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide?
2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide has a molecular weight of 385.45 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide is sourced from PubChem (CID 10200092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).