3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine

C11H7ClN4S — CID 46839812

IUPAC3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ccc3cc(Cl)ccc3n2)ns1
InChIInChI=1S/C11H7ClN4S/c12-7-2-4-8-6(5-7)1-3-9(14-8)10-15-11(13)17-16-10/h1-5H,(H2,13,15,16)
InChIKeyCAAIDFKJQRYBDR-UHFFFAOYSA-N
MW262.73 g/mol
LogP2.99
Rot. Bonds1

About 3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine

3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 46839812) has the molecular formula C11H7ClN4S and a molecular weight of 262.73 g/mol. Its IUPAC name is 3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID46839812
Molecular FormulaC11H7ClN4S
Molecular Weight262.73 g/mol
Exact Mass262.01
IUPAC Name3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ccc3cc(Cl)ccc3n2)ns1
InChIInChI=1S/C11H7ClN4S/c12-7-2-4-8-6(5-7)1-3-9(14-8)10-15-11(13)17-16-10/h1-5H,(H2,13,15,16)
InChIKeyCAAIDFKJQRYBDR-UHFFFAOYSA-N
XLogP2.99
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine (CID 46839812) is 3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine is Nc1nc(-c2ccc3cc(Cl)ccc3n2)ns1.
What is the InChIKey of 3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CAAIDFKJQRYBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4S/c12-7-2-4-8-6(5-7)1-3-9(14-8)10-15-11(13)17-16-10/h1-5H,(H2,13,15,16).
What are the key properties of 3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine?
3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 262.73 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 46839812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).