6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole

C16H12F3NO2S — CID 23573343

IUPAC6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3c(C(F)(F)F)cc(OC)cc3s2)cc1
InChIInChI=1S/C16H12F3NO2S/c1-21-10-5-3-9(4-6-10)15-20-14-12(16(17,18)19)7-11(22-2)8-13(14)23-15/h3-8H,1-2H3
InChIKeyHHMMWBRGODMMCC-UHFFFAOYSA-N
MW339.34 g/mol
LogP5.00
Rot. Bonds3

About 6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole

6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 23573343) has the molecular formula C16H12F3NO2S and a molecular weight of 339.34 g/mol. Its IUPAC name is 6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole
PubChem CID23573343
Molecular FormulaC16H12F3NO2S
Molecular Weight339.34 g/mol
Exact Mass339.05
IUPAC Name6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3c(C(F)(F)F)cc(OC)cc3s2)cc1
InChIInChI=1S/C16H12F3NO2S/c1-21-10-5-3-9(4-6-10)15-20-14-12(16(17,18)19)7-11(22-2)8-13(14)23-15/h3-8H,1-2H3
InChIKeyHHMMWBRGODMMCC-UHFFFAOYSA-N
XLogP5.00
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole (CID 23573343) is 6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole is COc1ccc(-c2nc3c(C(F)(F)F)cc(OC)cc3s2)cc1.
What is the InChIKey of 6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is HHMMWBRGODMMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2S/c1-21-10-5-3-9(4-6-10)15-20-14-12(16(17,18)19)7-11(22-2)8-13(14)23-15/h3-8H,1-2H3.
What are the key properties of 6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole?
6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 339.34 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 23573343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).