5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one

C17H11N3OS — CID 91569498

IUPAC5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1=Cc1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H11N3OS/c21-16-15(19-17(22)20-16)9-12-10-5-1-3-7-13(10)18-14-8-4-2-6-11(12)14/h1-9H,(H2,19,20,21,22)
InChIKeyPYFPGZUVNVXFCI-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.73
Rot. Bonds1

About 5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one

5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one (PubChem CID 91569498) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
PubChem CID91569498
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1=Cc1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H11N3OS/c21-16-15(19-17(22)20-16)9-12-10-5-1-3-7-13(10)18-14-8-4-2-6-11(12)14/h1-9H,(H2,19,20,21,22)
InChIKeyPYFPGZUVNVXFCI-UHFFFAOYSA-N
XLogP2.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one (CID 91569498) is 5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)NC1=Cc1c2ccccc2nc2ccccc12.
What is the InChIKey of 5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is PYFPGZUVNVXFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c21-16-15(19-17(22)20-16)9-12-10-5-1-3-7-13(10)18-14-8-4-2-6-11(12)14/h1-9H,(H2,19,20,21,22).
What are the key properties of 5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one?
5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 305.36 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acridin-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 91569498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).