N-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine

C16H12N4S — CID 3158320

IUPACN-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2c3ccccc3nc3ccccc23)s1
InChIInChI=1S/C16H12N4S/c1-10-19-20-16(21-10)18-15-11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-9H,1H3,(H,17,18,20)
InChIKeyGFEFCEBHDRVGDV-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.29
Rot. Bonds2

About N-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine

N-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 3158320) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID3158320
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC NameN-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2c3ccccc3nc3ccccc23)s1
InChIInChI=1S/C16H12N4S/c1-10-19-20-16(21-10)18-15-11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-9H,1H3,(H,17,18,20)
InChIKeyGFEFCEBHDRVGDV-UHFFFAOYSA-N
XLogP4.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine (CID 3158320) is N-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(Nc2c3ccccc3nc3ccccc23)s1.
What is the InChIKey of N-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GFEFCEBHDRVGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-10-19-20-16(21-10)18-15-11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-9H,1H3,(H,17,18,20).
What are the key properties of N-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine?
N-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 292.37 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acridin-9-yl-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3158320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).