5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine

C15H14N4S — CID 82450327

IUPAC5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc2nc3c(c(-c4nnc(N)s4)c2c1)CCC3
InChIInChI=1S/C15H14N4S/c1-8-5-6-12-10(7-8)13(14-18-19-15(16)20-14)9-3-2-4-11(9)17-12/h5-7H,2-4H2,1H3,(H2,16,19)
InChIKeyAMPIMPJRZIJVJR-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.13
Rot. Bonds1

About 5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine

5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82450327) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82450327
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc2nc3c(c(-c4nnc(N)s4)c2c1)CCC3
InChIInChI=1S/C15H14N4S/c1-8-5-6-12-10(7-8)13(14-18-19-15(16)20-14)9-3-2-4-11(9)17-12/h5-7H,2-4H2,1H3,(H2,16,19)
InChIKeyAMPIMPJRZIJVJR-UHFFFAOYSA-N
XLogP3.13
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine (CID 82450327) is 5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine is Cc1ccc2nc3c(c(-c4nnc(N)s4)c2c1)CCC3.
What is the InChIKey of 5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AMPIMPJRZIJVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-8-5-6-12-10(7-8)13(14-18-19-15(16)20-14)9-3-2-4-11(9)17-12/h5-7H,2-4H2,1H3,(H2,16,19).
What are the key properties of 5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine?
5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82450327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).