2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide

C16H11N3O2S — CID 149083158

IUPAC2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide
SMILESNC(=O)c1cc(-c2cn3c(n2)sc2ccccc23)ccc1O
InChIInChI=1S/C16H11N3O2S/c17-15(21)10-7-9(5-6-13(10)20)11-8-19-12-3-1-2-4-14(12)22-16(19)18-11/h1-8,20H,(H2,17,21)
InChIKeyQQSRYCNXQQCSIY-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.02
Rot. Bonds2

About 2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide

2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide (PubChem CID 149083158) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide
PubChem CID149083158
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide
SMILESNC(=O)c1cc(-c2cn3c(n2)sc2ccccc23)ccc1O
InChIInChI=1S/C16H11N3O2S/c17-15(21)10-7-9(5-6-13(10)20)11-8-19-12-3-1-2-4-14(12)22-16(19)18-11/h1-8,20H,(H2,17,21)
InChIKeyQQSRYCNXQQCSIY-UHFFFAOYSA-N
XLogP3.02
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide?
The IUPAC name of 2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide (CID 149083158) is 2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide.
What is the SMILES notation for 2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide?
The canonical SMILES for 2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide is NC(=O)c1cc(-c2cn3c(n2)sc2ccccc23)ccc1O.
What is the InChIKey of 2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide?
The InChIKey is QQSRYCNXQQCSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c17-15(21)10-7-9(5-6-13(10)20)11-8-19-12-3-1-2-4-14(12)22-16(19)18-11/h1-8,20H,(H2,17,21).
What are the key properties of 2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide?
2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide has a molecular weight of 309.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide is sourced from PubChem (CID 149083158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).