2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole

C13H6ClF3N2S — CID 164676448

IUPAC2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2nccs2)nc2ccc(Cl)cc12
InChIInChI=1S/C13H6ClF3N2S/c14-7-1-2-10-8(5-7)9(13(15,16)17)6-11(19-10)12-18-3-4-20-12/h1-6H
InChIKeyKOAYBMRLWJLLBE-UHFFFAOYSA-N
MW314.72 g/mol
LogP5.03
Rot. Bonds1

About 2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole

2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole (PubChem CID 164676448) has the molecular formula C13H6ClF3N2S and a molecular weight of 314.72 g/mol. Its IUPAC name is 2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole
PubChem CID164676448
Molecular FormulaC13H6ClF3N2S
Molecular Weight314.72 g/mol
Exact Mass313.99
IUPAC Name2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2nccs2)nc2ccc(Cl)cc12
InChIInChI=1S/C13H6ClF3N2S/c14-7-1-2-10-8(5-7)9(13(15,16)17)6-11(19-10)12-18-3-4-20-12/h1-6H
InChIKeyKOAYBMRLWJLLBE-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.72
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole (CID 164676448) is 2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole is FC(F)(F)c1cc(-c2nccs2)nc2ccc(Cl)cc12.
What is the InChIKey of 2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole?
The InChIKey is KOAYBMRLWJLLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2S/c14-7-1-2-10-8(5-7)9(13(15,16)17)6-11(19-10)12-18-3-4-20-12/h1-6H.
What are the key properties of 2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole?
2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole has a molecular weight of 314.72 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole is sourced from PubChem (CID 164676448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).