2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole

C13H9F3N4S2 — CID 166199089

IUPAC2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole
SMILESFC(F)(F)c1nsc(N2CC(c3nc4ccccc4s3)C2)n1
InChIInChI=1S/C13H9F3N4S2/c14-13(15,16)11-18-12(22-19-11)20-5-7(6-20)10-17-8-3-1-2-4-9(8)21-10/h1-4,7H,5-6H2
InChIKeyGXKSQGFHLDMSTF-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.77
Rot. Bonds2

About 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole

2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole (PubChem CID 166199089) has the molecular formula C13H9F3N4S2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole
PubChem CID166199089
Molecular FormulaC13H9F3N4S2
Molecular Weight342.37 g/mol
Exact Mass342.02
IUPAC Name2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole
SMILESFC(F)(F)c1nsc(N2CC(c3nc4ccccc4s3)C2)n1
InChIInChI=1S/C13H9F3N4S2/c14-13(15,16)11-18-12(22-19-11)20-5-7(6-20)10-17-8-3-1-2-4-9(8)21-10/h1-4,7H,5-6H2
InChIKeyGXKSQGFHLDMSTF-UHFFFAOYSA-N
XLogP3.77
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-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 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole (CID 166199089) is 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole is FC(F)(F)c1nsc(N2CC(c3nc4ccccc4s3)C2)n1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole?
The InChIKey is GXKSQGFHLDMSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4S2/c14-13(15,16)11-18-12(22-19-11)20-5-7(6-20)10-17-8-3-1-2-4-9(8)21-10/h1-4,7H,5-6H2.
What are the key properties of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole?
2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole has a molecular weight of 342.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 166199089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).