N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide

C11H8F3N3OS — CID 2986195

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc2c(c1)SC1=NCCN12)C(F)(F)F
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)9(18)16-6-1-2-7-8(5-6)19-10-15-3-4-17(7)10/h1-2,5H,3-4H2,(H,16,18)
InChIKeyCPESAVWCOFUIEE-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.47
Rot. Bonds1

About N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide (PubChem CID 2986195) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide
PubChem CID2986195
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc2c(c1)SC1=NCCN12)C(F)(F)F
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)9(18)16-6-1-2-7-8(5-6)19-10-15-3-4-17(7)10/h1-2,5H,3-4H2,(H,16,18)
InChIKeyCPESAVWCOFUIEE-UHFFFAOYSA-N
XLogP2.47
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide (CID 2986195) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide is O=C(Nc1ccc2c(c1)SC1=NCCN12)C(F)(F)F.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide?
The InChIKey is CPESAVWCOFUIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c12-11(13,14)9(18)16-6-1-2-7-8(5-6)19-10-15-3-4-17(7)10/h1-2,5H,3-4H2,(H,16,18).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide has a molecular weight of 287.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 2986195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).