5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole

C15H8F3N3S — CID 71735864

IUPAC5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole
SMILESFC(F)(F)c1cc(-c2ccc3scnc3c2)c2cn[nH]c2c1
InChIInChI=1S/C15H8F3N3S/c16-15(17,18)9-4-10(11-6-20-21-12(11)5-9)8-1-2-14-13(3-8)19-7-22-14/h1-7H,(H,20,21)
InChIKeyVMXUKWBBBBQRAZ-UHFFFAOYSA-N
MW319.31 g/mol
LogP4.86
Rot. Bonds1

About 5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole

5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole (PubChem CID 71735864) has the molecular formula C15H8F3N3S and a molecular weight of 319.31 g/mol. Its IUPAC name is 5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole
PubChem CID71735864
Molecular FormulaC15H8F3N3S
Molecular Weight319.31 g/mol
Exact Mass319.04
IUPAC Name5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole
SMILESFC(F)(F)c1cc(-c2ccc3scnc3c2)c2cn[nH]c2c1
InChIInChI=1S/C15H8F3N3S/c16-15(17,18)9-4-10(11-6-20-21-12(11)5-9)8-1-2-14-13(3-8)19-7-22-14/h1-7H,(H,20,21)
InChIKeyVMXUKWBBBBQRAZ-UHFFFAOYSA-N
XLogP4.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[6-(trifluoromethyl)-1H-indazol-4-yl]-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 5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole?
The IUPAC name of 5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole (CID 71735864) is 5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole?
The canonical SMILES for 5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole is FC(F)(F)c1cc(-c2ccc3scnc3c2)c2cn[nH]c2c1.
What is the InChIKey of 5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole?
The InChIKey is VMXUKWBBBBQRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3S/c16-15(17,18)9-4-10(11-6-20-21-12(11)5-9)8-1-2-14-13(3-8)19-7-22-14/h1-7H,(H,20,21).
What are the key properties of 5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole?
5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole has a molecular weight of 319.31 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 71735864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).