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

C17H18N4S — CID 82450160

IUPAC5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1cccc2c(-c3nnc(N)s3)c3c(nc12)CCCC3
InChIInChI=1S/C17H18N4S/c1-2-10-6-5-8-12-14(16-20-21-17(18)22-16)11-7-3-4-9-13(11)19-15(10)12/h5-6,8H,2-4,7,9H2,1H3,(H2,18,21)
InChIKeyLYUMJAGARCNNAV-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.78
Rot. Bonds2

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

5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82450160) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82450160
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1cccc2c(-c3nnc(N)s3)c3c(nc12)CCCC3
InChIInChI=1S/C17H18N4S/c1-2-10-6-5-8-12-14(16-20-21-17(18)22-16)11-7-3-4-9-13(11)19-15(10)12/h5-6,8H,2-4,7,9H2,1H3,(H2,18,21)
InChIKeyLYUMJAGARCNNAV-UHFFFAOYSA-N
XLogP3.78
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine
CID 82451875
1-(5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanamine
CID 82450132
5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine
CID 82450327
9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82450114
5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450100
N-ethyl-5-(1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine
CID 82449902
N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine
CID 82450145
5-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 611416
7-bromo-5-ethyl-1,2,3,4-tetrahydroacridin-9-amine
CID 81289505
2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 81287794
4-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine
CID 82451876
(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450182

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine (CID 82450160) is 5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine is CCc1cccc2c(-c3nnc(N)s3)c3c(nc12)CCCC3.
What is the InChIKey of 5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LYUMJAGARCNNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-2-10-6-5-8-12-14(16-20-21-17(18)22-16)11-7-3-4-9-13(11)19-15(10)12/h5-6,8H,2-4,7,9H2,1H3,(H2,18,21).
What are the key properties of 5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine?
5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 310.43 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82450160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).