N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide

C11H11N3OS — CID 12873985

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C11H11N3OS/c1-7(15)13-8-2-3-10-9(6-8)14-5-4-12-11(14)16-10/h2-3,6H,4-5H2,1H3,(H,13,15)
InChIKeyAABHRBRGMJOEGK-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.93
Rot. Bonds1

About N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide (PubChem CID 12873985) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
PubChem CID12873985
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C11H11N3OS/c1-7(15)13-8-2-3-10-9(6-8)14-5-4-12-11(14)16-10/h2-3,6H,4-5H2,1H3,(H,13,15)
InChIKeyAABHRBRGMJOEGK-UHFFFAOYSA-N
XLogP1.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.93
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-7-yl)acetamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide (CID 12873985) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide is CC(=O)Nc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide?
The InChIKey is AABHRBRGMJOEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7(15)13-8-2-3-10-9(6-8)14-5-4-12-11(14)16-10/h2-3,6H,4-5H2,1H3,(H,13,15).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide has a molecular weight of 233.30 g/mol, XLogP of 1.93, 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-7-yl)acetamide is sourced from PubChem (CID 12873985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).