acridine-1-carbothioamide

C14H10N2S — CID 154008733

IUPACacridine-1-carbothioamide
SMILESNC(=S)c1cccc2nc3ccccc3cc12
InChIInChI=1S/C14H10N2S/c15-14(17)10-5-3-7-13-11(10)8-9-4-1-2-6-12(9)16-13/h1-8H,(H2,15,17)
InChIKeyACUJUZZQPZWGFX-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.02
Rot. Bonds1

About acridine-1-carbothioamide

acridine-1-carbothioamide (PubChem CID 154008733) has the molecular formula C14H10N2S and a molecular weight of 238.31 g/mol. Its IUPAC name is acridine-1-carbothioamide.

Molecular Properties

Compound Nameacridine-1-carbothioamide
PubChem CID154008733
Molecular FormulaC14H10N2S
Molecular Weight238.31 g/mol
Exact Mass238.06
IUPAC Nameacridine-1-carbothioamide
SMILESNC(=S)c1cccc2nc3ccccc3cc12
InChIInChI=1S/C14H10N2S/c15-14(17)10-5-3-7-13-11(10)8-9-4-1-2-6-12(9)16-13/h1-8H,(H2,15,17)
InChIKeyACUJUZZQPZWGFX-UHFFFAOYSA-N
XLogP3.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze acridine-1-carbothioamide 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

acridine-1-carbonyl acridine-1-carboxylate
CID 54394686
acridine-4-carboxamide
CID 3025721
acridine-1,2-dicarboxamide
CID 154155519
methyl acridine-1-carboxylate
CID 54560619
1-acridin-1-ylbutan-1-one
CID 174652191
acridine
CID 21226281
1-methylacridine;hydrochloride
CID 175333750
1-acridin-1-ylsulfanylacridine
CID 141380741
2-(methylamino)quinoline-4-carbothioamide
CID 63886082
2-(4,4,4-trifluorobutoxy)quinoline-3-carbothioamide
CID 82782352
acridine-1-sulfinic acid
CID 91240554
1-phenylacridin-2-amine
CID 87481080

Frequently Asked Questions

What is the IUPAC name of acridine-1-carbothioamide?
The IUPAC name of acridine-1-carbothioamide (CID 154008733) is acridine-1-carbothioamide.
What is the SMILES notation for acridine-1-carbothioamide?
The canonical SMILES for acridine-1-carbothioamide is NC(=S)c1cccc2nc3ccccc3cc12.
What is the InChIKey of acridine-1-carbothioamide?
The InChIKey is ACUJUZZQPZWGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S/c15-14(17)10-5-3-7-13-11(10)8-9-4-1-2-6-12(9)16-13/h1-8H,(H2,15,17).
What are the key properties of acridine-1-carbothioamide?
acridine-1-carbothioamide has a molecular weight of 238.31 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acridine-1-carbothioamide is sourced from PubChem (CID 154008733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).