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

C16H13F3N2OS — CID 70252908

IUPAC2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1cc(C)c2nc(-c3nc(C(F)(F)F)cs3)cc(C)c2c1
InChIInChI=1S/C16H13F3N2OS/c1-8-5-12(15-21-13(7-23-15)16(17,18)19)20-14-9(2)4-10(22-3)6-11(8)14/h4-7H,1-3H3
InChIKeyVBGBLXBYVYDSTH-UHFFFAOYSA-N
MW338.35 g/mol
LogP5.00
Rot. Bonds2

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

2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 70252908) has the molecular formula C16H13F3N2OS and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID70252908
Molecular FormulaC16H13F3N2OS
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC Name2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1cc(C)c2nc(-c3nc(C(F)(F)F)cs3)cc(C)c2c1
InChIInChI=1S/C16H13F3N2OS/c1-8-5-12(15-21-13(7-23-15)16(17,18)19)20-14-9(2)4-10(22-3)6-11(8)14/h4-7H,1-3H3
InChIKeyVBGBLXBYVYDSTH-UHFFFAOYSA-N
XLogP5.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 70252908) is 2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is COc1cc(C)c2nc(-c3nc(C(F)(F)F)cs3)cc(C)c2c1.
What is the InChIKey of 2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is VBGBLXBYVYDSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS/c1-8-5-12(15-21-13(7-23-15)16(17,18)19)20-14-9(2)4-10(22-3)6-11(8)14/h4-7H,1-3H3.
What are the key properties of 2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 338.35 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 70252908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).