1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea

C21H19N3S2 — CID 45113025

IUPAC1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea
SMILESCc1cccc2c(NC(=S)NCCc3cccs3)c3ccccc3nc12
InChIInChI=1S/C21H19N3S2/c1-14-6-4-9-17-19(14)23-18-10-3-2-8-16(18)20(17)24-21(25)22-12-11-15-7-5-13-26-15/h2-10,13H,11-12H2,1H3,(H2,22,23,24,25)
InChIKeySWUMGZGZGFHPHP-UHFFFAOYSA-N
MW377.54 g/mol
LogP5.29
Rot. Bonds4

About 1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea

1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea (PubChem CID 45113025) has the molecular formula C21H19N3S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is 1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea
PubChem CID45113025
Molecular FormulaC21H19N3S2
Molecular Weight377.54 g/mol
Exact Mass377.10
IUPAC Name1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea
SMILESCc1cccc2c(NC(=S)NCCc3cccs3)c3ccccc3nc12
InChIInChI=1S/C21H19N3S2/c1-14-6-4-9-17-19(14)23-18-10-3-2-8-16(18)20(17)24-21(25)22-12-11-15-7-5-13-26-15/h2-10,13H,11-12H2,1H3,(H2,22,23,24,25)
InChIKeySWUMGZGZGFHPHP-UHFFFAOYSA-N
XLogP5.29
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.54
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea 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 1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea?
The IUPAC name of 1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea (CID 45113025) is 1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea.
What is the SMILES notation for 1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea?
The canonical SMILES for 1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea is Cc1cccc2c(NC(=S)NCCc3cccs3)c3ccccc3nc12.
What is the InChIKey of 1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea?
The InChIKey is SWUMGZGZGFHPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S2/c1-14-6-4-9-17-19(14)23-18-10-3-2-8-16(18)20(17)24-21(25)22-12-11-15-7-5-13-26-15/h2-10,13H,11-12H2,1H3,(H2,22,23,24,25).
What are the key properties of 1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea?
1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea has a molecular weight of 377.54 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylacridin-9-yl)-3-(2-thiophen-2-ylethyl)thiourea is sourced from PubChem (CID 45113025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).