5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride

C23H20ClN3O2S — CID 87815078

IUPAC5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCl.Nc1ccc(Cn2c3ccccc3c3c(CC4SC(=O)NC4=O)cccc32)cc1
InChIInChI=1S/C23H19N3O2S.ClH/c24-16-10-8-14(9-11-16)13-26-18-6-2-1-5-17(18)21-15(4-3-7-19(21)26)12-20-22(27)25-23(28)29-20;/h1-11,20H,12-13,24H2,(H,25,27,28);1H
InChIKeyNMOQDWWRWMKPKM-UHFFFAOYSA-N
MW437.95 g/mol
LogP4.74
Rot. Bonds4

About 5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride

5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride (PubChem CID 87815078) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is 5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
PubChem CID87815078
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC Name5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCl.Nc1ccc(Cn2c3ccccc3c3c(CC4SC(=O)NC4=O)cccc32)cc1
InChIInChI=1S/C23H19N3O2S.ClH/c24-16-10-8-14(9-11-16)13-26-18-6-2-1-5-17(18)21-15(4-3-7-19(21)26)12-20-22(27)25-23(28)29-20;/h1-11,20H,12-13,24H2,(H,25,27,28);1H
InChIKeyNMOQDWWRWMKPKM-UHFFFAOYSA-N
XLogP4.74
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride 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 5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride (CID 87815078) is 5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride is Cl.Nc1ccc(Cn2c3ccccc3c3c(CC4SC(=O)NC4=O)cccc32)cc1.
What is the InChIKey of 5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
The InChIKey is NMOQDWWRWMKPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S.ClH/c24-16-10-8-14(9-11-16)13-26-18-6-2-1-5-17(18)21-15(4-3-7-19(21)26)12-20-22(27)25-23(28)29-20;/h1-11,20H,12-13,24H2,(H,25,27,28);1H.
What are the key properties of 5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride has a molecular weight of 437.95 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[9-[(4-aminophenyl)methyl]carbazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 87815078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).