3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine

C12H10N4S — CID 46839772

IUPAC3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1ccc2ccc(-c3nsc(N)n3)nc2c1
InChIInChI=1S/C12H10N4S/c1-7-2-3-8-4-5-9(14-10(8)6-7)11-15-12(13)17-16-11/h2-6H,1H3,(H2,13,15,16)
InChIKeyCPGQNJAUJAZDHN-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.64
Rot. Bonds1

About 3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine

3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 46839772) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID46839772
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1ccc2ccc(-c3nsc(N)n3)nc2c1
InChIInChI=1S/C12H10N4S/c1-7-2-3-8-4-5-9(14-10(8)6-7)11-15-12(13)17-16-11/h2-6H,1H3,(H2,13,15,16)
InChIKeyCPGQNJAUJAZDHN-UHFFFAOYSA-N
XLogP2.64
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine (CID 46839772) is 3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine is Cc1ccc2ccc(-c3nsc(N)n3)nc2c1.
What is the InChIKey of 3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CPGQNJAUJAZDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-7-2-3-8-4-5-9(14-10(8)6-7)11-15-12(13)17-16-11/h2-6H,1H3,(H2,13,15,16).
What are the key properties of 3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine?
3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 242.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methylquinolin-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 46839772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).