2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

C10H9F3N2S — CID 83086632

IUPAC2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESFC(F)(F)c1cn2c3c(sc2n1)CCCC3
InChIInChI=1S/C10H9F3N2S/c11-10(12,13)8-5-15-6-3-1-2-4-7(6)16-9(15)14-8/h5H,1-4H2
InChIKeyHIPHBYZQHUSWTC-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.29
Rot. Bonds

About 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 83086632) has the molecular formula C10H9F3N2S and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID83086632
Molecular FormulaC10H9F3N2S
Molecular Weight246.26 g/mol
Exact Mass246.04
IUPAC Name2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESFC(F)(F)c1cn2c3c(sc2n1)CCCC3
InChIInChI=1S/C10H9F3N2S/c11-10(12,13)8-5-15-6-3-1-2-4-7(6)16-9(15)14-8/h5H,1-4H2
InChIKeyHIPHBYZQHUSWTC-UHFFFAOYSA-N
XLogP3.29
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][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-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 83086632) is 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is FC(F)(F)c1cn2c3c(sc2n1)CCCC3.
What is the InChIKey of 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is HIPHBYZQHUSWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S/c11-10(12,13)8-5-15-6-3-1-2-4-7(6)16-9(15)14-8/h5H,1-4H2.
What are the key properties of 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 246.26 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 83086632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).