2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

C14H8F4N2OS — CID 90758936

IUPAC2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc2ccc(-c3nc(C(F)(F)F)cs3)nc2c1F
InChIInChI=1S/C14H8F4N2OS/c1-21-9-5-3-7-2-4-8(19-12(7)11(9)15)13-20-10(6-22-13)14(16,17)18/h2-6H,1H3
InChIKeyVKDKEAYNKDIDRN-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.52
Rot. Bonds2

About 2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 90758936) has the molecular formula C14H8F4N2OS and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID90758936
Molecular FormulaC14H8F4N2OS
Molecular Weight328.29 g/mol
Exact Mass328.03
IUPAC Name2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc2ccc(-c3nc(C(F)(F)F)cs3)nc2c1F
InChIInChI=1S/C14H8F4N2OS/c1-21-9-5-3-7-2-4-8(19-12(7)11(9)15)13-20-10(6-22-13)14(16,17)18/h2-6H,1H3
InChIKeyVKDKEAYNKDIDRN-UHFFFAOYSA-N
XLogP4.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 90758936) is 2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is COc1ccc2ccc(-c3nc(C(F)(F)F)cs3)nc2c1F.
What is the InChIKey of 2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is VKDKEAYNKDIDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2OS/c1-21-9-5-3-7-2-4-8(19-12(7)11(9)15)13-20-10(6-22-13)14(16,17)18/h2-6H,1H3.
What are the key properties of 2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 328.29 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 90758936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).