6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide

C15H10N4O2S — CID 126617735

IUPAC6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cn2c(n1)sc1cc(O)ccc12
InChIInChI=1S/C15H10N4O2S/c20-10-3-4-12-13(6-10)22-15-18-11(8-19(12)15)14(21)17-9-2-1-5-16-7-9/h1-8,20H,(H,17,21)
InChIKeySSERFKSXKYFLFE-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.90
Rot. Bonds2

About 6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide

6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide (PubChem CID 126617735) has the molecular formula C15H10N4O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
PubChem CID126617735
Molecular FormulaC15H10N4O2S
Molecular Weight310.34 g/mol
Exact Mass310.05
IUPAC Name6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cn2c(n1)sc1cc(O)ccc12
InChIInChI=1S/C15H10N4O2S/c20-10-3-4-12-13(6-10)22-15-18-11(8-19(12)15)14(21)17-9-2-1-5-16-7-9/h1-8,20H,(H,17,21)
InChIKeySSERFKSXKYFLFE-UHFFFAOYSA-N
XLogP2.90
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The IUPAC name of 6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide (CID 126617735) is 6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide.
What is the SMILES notation for 6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The canonical SMILES for 6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide is O=C(Nc1cccnc1)c1cn2c(n1)sc1cc(O)ccc12.
What is the InChIKey of 6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The InChIKey is SSERFKSXKYFLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S/c20-10-3-4-12-13(6-10)22-15-18-11(8-19(12)15)14(21)17-9-2-1-5-16-7-9/h1-8,20H,(H,17,21).
What are the key properties of 6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide has a molecular weight of 310.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide is sourced from PubChem (CID 126617735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).