phenazine-1-carboxamide;1,3,4-thiadiazole

C15H11N5OS — CID 175116652

IUPACphenazine-1-carboxamide;1,3,4-thiadiazole
SMILESNC(=O)c1cccc2nc3ccccc3nc12.c1nncs1
InChIInChI=1S/C13H9N3O.C2H2N2S/c14-13(17)8-4-3-7-11-12(8)16-10-6-2-1-5-9(10)15-11;1-3-4-2-5-1/h1-7H,(H2,14,17);1-2H
InChIKeyUCOYLIFKKUYOOB-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.42
Rot. Bonds1

About phenazine-1-carboxamide;1,3,4-thiadiazole

phenazine-1-carboxamide;1,3,4-thiadiazole (PubChem CID 175116652) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is phenazine-1-carboxamide;1,3,4-thiadiazole.

Molecular Properties

Compound Namephenazine-1-carboxamide;1,3,4-thiadiazole
PubChem CID175116652
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Namephenazine-1-carboxamide;1,3,4-thiadiazole
SMILESNC(=O)c1cccc2nc3ccccc3nc12.c1nncs1
InChIInChI=1S/C13H9N3O.C2H2N2S/c14-13(17)8-4-3-7-11-12(8)16-10-6-2-1-5-9(10)15-11;1-3-4-2-5-1/h1-7H,(H2,14,17);1-2H
InChIKeyUCOYLIFKKUYOOB-UHFFFAOYSA-N
XLogP2.42
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenazine-1-carboxamide;1,3,4-thiadiazole?
The IUPAC name of phenazine-1-carboxamide;1,3,4-thiadiazole (CID 175116652) is phenazine-1-carboxamide;1,3,4-thiadiazole.
What is the SMILES notation for phenazine-1-carboxamide;1,3,4-thiadiazole?
The canonical SMILES for phenazine-1-carboxamide;1,3,4-thiadiazole is NC(=O)c1cccc2nc3ccccc3nc12.c1nncs1.
What is the InChIKey of phenazine-1-carboxamide;1,3,4-thiadiazole?
The InChIKey is UCOYLIFKKUYOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O.C2H2N2S/c14-13(17)8-4-3-7-11-12(8)16-10-6-2-1-5-9(10)15-11;1-3-4-2-5-1/h1-7H,(H2,14,17);1-2H.
What are the key properties of phenazine-1-carboxamide;1,3,4-thiadiazole?
phenazine-1-carboxamide;1,3,4-thiadiazole has a molecular weight of 309.35 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenazine-1-carboxamide;1,3,4-thiadiazole is sourced from PubChem (CID 175116652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).