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

C12H10N4S — CID 79235359

IUPAC3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1cc(-c2nsc(N)n2)c2ccccc2n1
InChIInChI=1S/C12H10N4S/c1-7-6-9(11-15-12(13)17-16-11)8-4-2-3-5-10(8)14-7/h2-6H,1H3,(H2,13,15,16)
InChIKeyIOWUCZSPJALIEH-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.64
Rot. Bonds1

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

3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 79235359) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID79235359
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1cc(-c2nsc(N)n2)c2ccccc2n1
InChIInChI=1S/C12H10N4S/c1-7-6-9(11-15-12(13)17-16-11)8-4-2-3-5-10(8)14-7/h2-6H,1H3,(H2,13,15,16)
InChIKeyIOWUCZSPJALIEH-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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Related Compounds

2-(2-methylquinolin-4-yl)pyrimidin-4-amine
CID 79234702
4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084220
2-methylquinolin-4-amine
CID 162035180
2-(2-methylquinolin-4-yl)-4-phenyl-1,3-thiazole
CID 103597581
3-(4-ethoxyquinolin-2-yl)-1,2,4-thiadiazol-5-amine
CID 46839827
2-methyl-4-thiophen-2-ylquinoline
CID 11746306
N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
CID 82447733
5-(2-methylquinolin-4-yl)-1H-imidazol-2-amine
CID 142854021
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 79235133
4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline
CID 79234699
2-(4,6-dimethylpyrimidin-2-yl)quinazolin-4-amine
CID 10610759

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine (CID 79235359) is 3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine is Cc1cc(-c2nsc(N)n2)c2ccccc2n1.
What is the InChIKey of 3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IOWUCZSPJALIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-7-6-9(11-15-12(13)17-16-11)8-4-2-3-5-10(8)14-7/h2-6H,1H3,(H2,13,15,16).
What are the key properties of 3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine?
3-(2-methylquinolin-4-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-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79235359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).