2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C11H9N3O2S — CID 166039212

IUPAC2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)sc1nc(CO)cn12
InChIInChI=1S/C11H9N3O2S/c12-10(16)6-1-2-8-9(3-6)17-11-13-7(5-15)4-14(8)11/h1-4,15H,5H2,(H2,12,16)
InChIKeyAQFIZPHWRVOSIK-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.14
Rot. Bonds2

About 2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 166039212) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID166039212
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)sc1nc(CO)cn12
InChIInChI=1S/C11H9N3O2S/c12-10(16)6-1-2-8-9(3-6)17-11-13-7(5-15)4-14(8)11/h1-4,15H,5H2,(H2,12,16)
InChIKeyAQFIZPHWRVOSIK-UHFFFAOYSA-N
XLogP1.14
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of 2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 166039212) is 2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is NC(=O)c1ccc2c(c1)sc1nc(CO)cn12.
What is the InChIKey of 2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is AQFIZPHWRVOSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c12-10(16)6-1-2-8-9(3-6)17-11-13-7(5-15)4-14(8)11/h1-4,15H,5H2,(H2,12,16).
What are the key properties of 2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 247.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 166039212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).