N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine

C11H10F3N3S — CID 12873978

IUPACN-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
SMILESFC(F)(F)CNc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C11H10F3N3S/c12-11(13,14)6-16-7-1-2-9-8(5-7)17-4-3-15-10(17)18-9/h1-2,5,16H,3-4,6H2
InChIKeyIDHBBSKJEPQACK-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.94
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine

N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine (PubChem CID 12873978) has the molecular formula C11H10F3N3S and a molecular weight of 273.28 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
PubChem CID12873978
Molecular FormulaC11H10F3N3S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC NameN-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
SMILESFC(F)(F)CNc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C11H10F3N3S/c12-11(13,14)6-16-7-1-2-9-8(5-7)17-4-3-15-10(17)18-9/h1-2,5,16H,3-4,6H2
InChIKeyIDHBBSKJEPQACK-UHFFFAOYSA-N
XLogP2.94
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine (CID 12873978) is N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine is FC(F)(F)CNc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The InChIKey is IDHBBSKJEPQACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S/c12-11(13,14)6-16-7-1-2-9-8(5-7)17-4-3-15-10(17)18-9/h1-2,5,16H,3-4,6H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine has a molecular weight of 273.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine is sourced from PubChem (CID 12873978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).