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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Related Compounds

CID 11617852
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CID 42625213
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CID 56649602
CID 56649602
CID 56970999
CID 56970999
CID 16018361
CID 16018361
CID 16018395
CID 16018395
CID 16018418
CID 16018418
CID 16018359
CID 16018359
CID 16018367
CID 16018367
CID 16018371
CID 16018371
CID 16018391
CID 16018391
CID 16018393
CID 16018393

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).