2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

C15H11F3N2OS — CID 91274831

IUPAC2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1cc(C)c2nc(-c3nc(C(F)(F)F)cs3)ccc2c1
InChIInChI=1S/C15H11F3N2OS/c1-8-5-10(21-2)6-9-3-4-11(19-13(8)9)14-20-12(7-22-14)15(16,17)18/h3-7H,1-2H3
InChIKeyAGCCCRWOGUVCAO-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.69
Rot. Bonds2

About 2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 91274831) has the molecular formula C15H11F3N2OS and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID91274831
Molecular FormulaC15H11F3N2OS
Molecular Weight324.33 g/mol
Exact Mass324.05
IUPAC Name2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1cc(C)c2nc(-c3nc(C(F)(F)F)cs3)ccc2c1
InChIInChI=1S/C15H11F3N2OS/c1-8-5-10(21-2)6-9-3-4-11(19-13(8)9)14-20-12(7-22-14)15(16,17)18/h3-7H,1-2H3
InChIKeyAGCCCRWOGUVCAO-UHFFFAOYSA-N
XLogP4.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 91274831) is 2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is COc1cc(C)c2nc(-c3nc(C(F)(F)F)cs3)ccc2c1.
What is the InChIKey of 2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is AGCCCRWOGUVCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2OS/c1-8-5-10(21-2)6-9-3-4-11(19-13(8)9)14-20-12(7-22-14)15(16,17)18/h3-7H,1-2H3.
What are the key properties of 2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 324.33 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-8-methylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 91274831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).