N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine

C17H18N4S — CID 82449902

IUPACN-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2c3c(nc4ccccc24)CCCC3)s1
InChIInChI=1S/C17H18N4S/c1-2-18-17-21-20-16(22-17)15-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)15/h3,5,7,9H,2,4,6,8,10H2,1H3,(H,18,21)
InChIKeyNNBDOCQWBVLDFK-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.06
Rot. Bonds3

About N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82449902) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82449902
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC NameN-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2c3c(nc4ccccc24)CCCC3)s1
InChIInChI=1S/C17H18N4S/c1-2-18-17-21-20-16(22-17)15-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)15/h3,5,7,9H,2,4,6,8,10H2,1H3,(H,18,21)
InChIKeyNNBDOCQWBVLDFK-UHFFFAOYSA-N
XLogP4.06
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
CID 159322065
5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine
CID 82450160
N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
CID 24938566
1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N-ethyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 25220460
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine
CID 82450327
9-iodo-1,2,3,4-tetrahydroacridine
CID 628104
N-ethyl-7-phenylmethoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 113232551

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine (CID 82449902) is N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2c3c(nc4ccccc24)CCCC3)s1.
What is the InChIKey of N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NNBDOCQWBVLDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-2-18-17-21-20-16(22-17)15-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)15/h3,5,7,9H,2,4,6,8,10H2,1H3,(H,18,21).
What are the key properties of N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 310.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82449902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).