phenanthridine;thiadiazole

C15H11N3S — CID 174622383

IUPACphenanthridine;thiadiazole
SMILESc1ccc2c(c1)cnc1ccccc12.c1csnn1
InChIInChI=1S/C13H9N.C2H2N2S/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-5-4-3-1/h1-9H;1-2H
InChIKeyOVPAJFLWCYJEJH-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.93
Rot. Bonds

About phenanthridine;thiadiazole

phenanthridine;thiadiazole (PubChem CID 174622383) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is phenanthridine;thiadiazole.

Molecular Properties

Compound Namephenanthridine;thiadiazole
PubChem CID174622383
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Namephenanthridine;thiadiazole
SMILESc1ccc2c(c1)cnc1ccccc12.c1csnn1
InChIInChI=1S/C13H9N.C2H2N2S/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-5-4-3-1/h1-9H;1-2H
InChIKeyOVPAJFLWCYJEJH-UHFFFAOYSA-N
XLogP3.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenanthridine;thiadiazole?
The IUPAC name of phenanthridine;thiadiazole (CID 174622383) is phenanthridine;thiadiazole.
What is the SMILES notation for phenanthridine;thiadiazole?
The canonical SMILES for phenanthridine;thiadiazole is c1ccc2c(c1)cnc1ccccc12.c1csnn1.
What is the InChIKey of phenanthridine;thiadiazole?
The InChIKey is OVPAJFLWCYJEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C2H2N2S/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-5-4-3-1/h1-9H;1-2H.
What are the key properties of phenanthridine;thiadiazole?
phenanthridine;thiadiazole has a molecular weight of 265.34 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthridine;thiadiazole is sourced from PubChem (CID 174622383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).