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

C17H14N4S — CID 5027228

IUPACN-acridin-9-yl-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(Nc2c3ccccc3nc3ccccc23)s1
InChIInChI=1S/C17H14N4S/c1-2-15-20-21-17(22-15)19-16-11-7-3-5-9-13(11)18-14-10-6-4-8-12(14)16/h3-10H,2H2,1H3,(H,18,19,21)
InChIKeyAIKDVQRKSXLRBC-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.55
Rot. Bonds3

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

N-acridin-9-yl-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 5027228) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-acridin-9-yl-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-acridin-9-yl-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID5027228
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC NameN-acridin-9-yl-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(Nc2c3ccccc3nc3ccccc23)s1
InChIInChI=1S/C17H14N4S/c1-2-15-20-21-17(22-15)19-16-11-7-3-5-9-13(11)18-14-10-6-4-8-12(14)16/h3-10H,2H2,1H3,(H,18,19,21)
InChIKeyAIKDVQRKSXLRBC-UHFFFAOYSA-N
XLogP4.55
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.55
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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Related Compounds

F0307-0132
CID 722331
Acridin-9-yl-[1,3,4]thiadiazol-2-yl-amine
CID 2945556
2-Methyl-4-(3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline
CID 972436
N-(5-propyl-1,3,4-thiadiazol-2-yl)-9-acridinamine
CID 2945039
Acridin-9-yl-(5-methyl-[1,3,4]thiadiazol-2-yl)-amine
CID 3158320
(5-Methyl-2H-pyrazol-3-yl)-(2-phenylquinolin-4-yl)-amine
CID 9966101
Guanidine, 1-cyclohexyl-2-(2-methyl-4-quinolyl)-3-(1,3,4-thiadiazol-2-yl)-
CID 51231
Guanidine, N-cyclohexyl-N'-(4,5-dimethyl-2-thiazolyl)-N''-(2-methyl-4-quinolinyl)-
CID 3054265
Guanidine, N-cyclohexyl-N'-(2-methyl-4-quinolinyl)-N''-(5-methyl-1,3,4-thiadiazol-2-yl)-
CID 3054272
Guanidine, N-(1,1-dimethylethyl)-N'-(2-methyl-4-quinolinyl)-N''-(5-methyl-1,3,4-thiadiazol-2-yl)-
CID 3054275
4-(3-Ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-phenylquinoline
CID 1095869
5-Phenyl-3-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-3-ium-2-amine bromide
CID 16196379

Frequently Asked Questions

What is the IUPAC name of N-acridin-9-yl-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-acridin-9-yl-5-ethyl-1,3,4-thiadiazol-2-amine (CID 5027228) is N-acridin-9-yl-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-acridin-9-yl-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-acridin-9-yl-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(Nc2c3ccccc3nc3ccccc23)s1.
What is the InChIKey of N-acridin-9-yl-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AIKDVQRKSXLRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-2-15-20-21-17(22-15)19-16-11-7-3-5-9-13(11)18-14-10-6-4-8-12(14)16/h3-10H,2H2,1H3,(H,18,19,21).
What are the key properties of N-acridin-9-yl-5-ethyl-1,3,4-thiadiazol-2-amine?
N-acridin-9-yl-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 306.39 g/mol, XLogP of 4.55, 3 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-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5027228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).