2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole

C19H13F3N2O2S — CID 166455968

IUPAC2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole
SMILESCc1nc2c(Oc3c(C)cnc4ccc(OC(F)(F)F)cc34)cccc2s1
InChIInChI=1S/C19H13F3N2O2S/c1-10-9-23-14-7-6-12(26-19(20,21)22)8-13(14)18(10)25-15-4-3-5-16-17(15)24-11(2)27-16/h3-9H,1-2H3
InChIKeyKWLIIWUHDBICGF-UHFFFAOYSA-N
MW390.39 g/mol
LogP6.15
Rot. Bonds3

About 2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole

2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole (PubChem CID 166455968) has the molecular formula C19H13F3N2O2S and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole
PubChem CID166455968
Molecular FormulaC19H13F3N2O2S
Molecular Weight390.39 g/mol
Exact Mass390.06
IUPAC Name2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole
SMILESCc1nc2c(Oc3c(C)cnc4ccc(OC(F)(F)F)cc34)cccc2s1
InChIInChI=1S/C19H13F3N2O2S/c1-10-9-23-14-7-6-12(26-19(20,21)22)8-13(14)18(10)25-15-4-3-5-16-17(15)24-11(2)27-16/h3-9H,1-2H3
InChIKeyKWLIIWUHDBICGF-UHFFFAOYSA-N
XLogP6.15
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole?
The IUPAC name of 2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole (CID 166455968) is 2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole?
The canonical SMILES for 2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole is Cc1nc2c(Oc3c(C)cnc4ccc(OC(F)(F)F)cc34)cccc2s1.
What is the InChIKey of 2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole?
The InChIKey is KWLIIWUHDBICGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2S/c1-10-9-23-14-7-6-12(26-19(20,21)22)8-13(14)18(10)25-15-4-3-5-16-17(15)24-11(2)27-16/h3-9H,1-2H3.
What are the key properties of 2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole?
2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole has a molecular weight of 390.39 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-methyl-6-(trifluoromethoxy)quinolin-4-yl]oxy-1,3-benzothiazole is sourced from PubChem (CID 166455968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).