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

C15H10N4S — CID 2945556

IUPACN-acridin-9-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc2c(Nc3nncs3)c3ccccc3nc2c1
InChIInChI=1S/C15H10N4S/c1-3-7-12-10(5-1)14(18-15-19-16-9-20-15)11-6-2-4-8-13(11)17-12/h1-9H,(H,17,18,19)
InChIKeyBXPSRTMMZJWLBI-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.98
Rot. Bonds2

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

N-acridin-9-yl-1,3,4-thiadiazol-2-amine (PubChem CID 2945556) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-acridin-9-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-acridin-9-yl-1,3,4-thiadiazol-2-amine
PubChem CID2945556
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC NameN-acridin-9-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc2c(Nc3nncs3)c3ccccc3nc2c1
InChIInChI=1S/C15H10N4S/c1-3-7-12-10(5-1)14(18-15-19-16-9-20-15)11-6-2-4-8-13(11)17-12/h1-9H,(H,17,18,19)
InChIKeyBXPSRTMMZJWLBI-UHFFFAOYSA-N
XLogP3.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.98
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

Acridin-9-yl-(5-ethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 5027228
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
Guanidine, 1-cyclohexyl-2-(2-methyl-4-quinolyl)-3-(1,3,4-thiadiazol-2-yl)-
CID 51231
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
Semicarbazide, 4-(9-acridinyl)-2-methyl-3-thio-
CID 3038128
Semicarbazide, 4-(9-acridinyl)-3-thio-
CID 3038135
3-[(6-Methylquinolin-8-yl)methyl]-1,3,4-thiadiazol-3-ium-2-amine bromide
CID 16196381
N-[2,8-bis(trifluoromethyl)quinolin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 155513429
Acetone, 4-(9-acridinyl)-2-methyl-3-thiosemicarbazone
CID 3038136
Guanidine, N-(1,1-dimethylethyl)-N'-(2-methyl-4-quinolinyl)-N''-1,3,4-thiadiazol-2-yl-
CID 3055143

Frequently Asked Questions

What is the IUPAC name of N-acridin-9-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-acridin-9-yl-1,3,4-thiadiazol-2-amine (CID 2945556) is N-acridin-9-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-acridin-9-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-acridin-9-yl-1,3,4-thiadiazol-2-amine is c1ccc2c(Nc3nncs3)c3ccccc3nc2c1.
What is the InChIKey of N-acridin-9-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is BXPSRTMMZJWLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c1-3-7-12-10(5-1)14(18-15-19-16-9-20-15)11-6-2-4-8-13(11)17-12/h1-9H,(H,17,18,19).
What are the key properties of N-acridin-9-yl-1,3,4-thiadiazol-2-amine?
N-acridin-9-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 278.34 g/mol, XLogP of 3.98, 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-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2945556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).