4-(2-methylquinolin-6-yl)thiadiazole

C12H9N3S — CID 59783911

IUPAC4-(2-methylquinolin-6-yl)thiadiazole
SMILESCc1ccc2cc(-c3csnn3)ccc2n1
InChIInChI=1S/C12H9N3S/c1-8-2-3-9-6-10(4-5-11(9)13-8)12-7-16-15-14-12/h2-7H,1H3
InChIKeySALCJLBCTXTDPY-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.06
Rot. Bonds1

About 4-(2-methylquinolin-6-yl)thiadiazole

4-(2-methylquinolin-6-yl)thiadiazole (PubChem CID 59783911) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-(2-methylquinolin-6-yl)thiadiazole.

Molecular Properties

Compound Name4-(2-methylquinolin-6-yl)thiadiazole
PubChem CID59783911
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name4-(2-methylquinolin-6-yl)thiadiazole
SMILESCc1ccc2cc(-c3csnn3)ccc2n1
InChIInChI=1S/C12H9N3S/c1-8-2-3-9-6-10(4-5-11(9)13-8)12-7-16-15-14-12/h2-7H,1H3
InChIKeySALCJLBCTXTDPY-UHFFFAOYSA-N
XLogP3.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylquinolin-6-yl)thiadiazole?
The IUPAC name of 4-(2-methylquinolin-6-yl)thiadiazole (CID 59783911) is 4-(2-methylquinolin-6-yl)thiadiazole.
What is the SMILES notation for 4-(2-methylquinolin-6-yl)thiadiazole?
The canonical SMILES for 4-(2-methylquinolin-6-yl)thiadiazole is Cc1ccc2cc(-c3csnn3)ccc2n1.
What is the InChIKey of 4-(2-methylquinolin-6-yl)thiadiazole?
The InChIKey is SALCJLBCTXTDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c1-8-2-3-9-6-10(4-5-11(9)13-8)12-7-16-15-14-12/h2-7H,1H3.
What are the key properties of 4-(2-methylquinolin-6-yl)thiadiazole?
4-(2-methylquinolin-6-yl)thiadiazole has a molecular weight of 227.29 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylquinolin-6-yl)thiadiazole is sourced from PubChem (CID 59783911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).