6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole

C14H9F3N2O2S — CID 169091694

IUPAC6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole
SMILESCOc1ccc2nc(Oc3ccc(C(F)(F)F)cn3)sc2c1
InChIInChI=1S/C14H9F3N2O2S/c1-20-9-3-4-10-11(6-9)22-13(19-10)21-12-5-2-8(7-18-12)14(15,16)17/h2-7H,1H3
InChIKeyCIWGCOCUAYHZLF-UHFFFAOYSA-N
MW326.30 g/mol
LogP4.51
Rot. Bonds3

About 6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole

6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole (PubChem CID 169091694) has the molecular formula C14H9F3N2O2S and a molecular weight of 326.30 g/mol. Its IUPAC name is 6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole
PubChem CID169091694
Molecular FormulaC14H9F3N2O2S
Molecular Weight326.30 g/mol
Exact Mass326.03
IUPAC Name6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole
SMILESCOc1ccc2nc(Oc3ccc(C(F)(F)F)cn3)sc2c1
InChIInChI=1S/C14H9F3N2O2S/c1-20-9-3-4-10-11(6-9)22-13(19-10)21-12-5-2-8(7-18-12)14(15,16)17/h2-7H,1H3
InChIKeyCIWGCOCUAYHZLF-UHFFFAOYSA-N
XLogP4.51
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]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

Related Compounds

6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
2-chloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18511523
2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine
CID 55176124
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 88743587
2-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
1,1,1-trifluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)propan-2-amine
CID 79798746
N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 54593529
(6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid
CID 175512314
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline
CID 118295313

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole (CID 169091694) is 6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole is COc1ccc2nc(Oc3ccc(C(F)(F)F)cn3)sc2c1.
What is the InChIKey of 6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole?
The InChIKey is CIWGCOCUAYHZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S/c1-20-9-3-4-10-11(6-9)22-13(19-10)21-12-5-2-8(7-18-12)14(15,16)17/h2-7H,1H3.
What are the key properties of 6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole?
6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole has a molecular weight of 326.30 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazole is sourced from PubChem (CID 169091694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).