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

C18H16N4S — CID 2945039

IUPACN-acridin-9-yl-5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(Nc2c3ccccc3nc3ccccc23)s1
InChIInChI=1S/C18H16N4S/c1-2-7-16-21-22-18(23-16)20-17-12-8-3-5-10-14(12)19-15-11-6-4-9-13(15)17/h3-6,8-11H,2,7H2,1H3,(H,19,20,22)
InChIKeyNNPZQUUICWETQK-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.94
Rot. Bonds4

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

N-acridin-9-yl-5-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 2945039) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-acridin-9-yl-5-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-acridin-9-yl-5-propyl-1,3,4-thiadiazol-2-amine
PubChem CID2945039
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC NameN-acridin-9-yl-5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(Nc2c3ccccc3nc3ccccc23)s1
InChIInChI=1S/C18H16N4S/c1-2-7-16-21-22-18(23-16)20-17-12-8-3-5-10-14(12)19-15-11-6-4-9-13(15)17/h3-6,8-11H,2,7H2,1H3,(H,19,20,22)
InChIKeyNNPZQUUICWETQK-UHFFFAOYSA-N
XLogP4.94
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.94
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-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-acridin-9-yl-5-propyl-1,3,4-thiadiazol-2-amine (CID 2945039) is N-acridin-9-yl-5-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-acridin-9-yl-5-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-acridin-9-yl-5-propyl-1,3,4-thiadiazol-2-amine is CCCc1nnc(Nc2c3ccccc3nc3ccccc23)s1.
What is the InChIKey of N-acridin-9-yl-5-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NNPZQUUICWETQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-2-7-16-21-22-18(23-16)20-17-12-8-3-5-10-14(12)19-15-11-6-4-9-13(15)17/h3-6,8-11H,2,7H2,1H3,(H,19,20,22).
What are the key properties of N-acridin-9-yl-5-propyl-1,3,4-thiadiazol-2-amine?
N-acridin-9-yl-5-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 320.42 g/mol, XLogP of 4.94, 4 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-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2945039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).