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

C16H12N4O2S — CID 126617758

IUPAC6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCOc1ccc2c(c1)sc1nc(C(=O)Nc3cccnc3)cn12
InChIInChI=1S/C16H12N4O2S/c1-22-11-4-5-13-14(7-11)23-16-19-12(9-20(13)16)15(21)18-10-3-2-6-17-8-10/h2-9H,1H3,(H,18,21)
InChIKeyCUBSLZVWKQYGIL-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.20
Rot. Bonds3

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

6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide (PubChem CID 126617758) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
PubChem CID126617758
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCOc1ccc2c(c1)sc1nc(C(=O)Nc3cccnc3)cn12
InChIInChI=1S/C16H12N4O2S/c1-22-11-4-5-13-14(7-11)23-16-19-12(9-20(13)16)15(21)18-10-3-2-6-17-8-10/h2-9H,1H3,(H,18,21)
InChIKeyCUBSLZVWKQYGIL-UHFFFAOYSA-N
XLogP3.20
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The IUPAC name of 6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide (CID 126617758) is 6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide is COc1ccc2c(c1)sc1nc(C(=O)Nc3cccnc3)cn12.
What is the InChIKey of 6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The InChIKey is CUBSLZVWKQYGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c1-22-11-4-5-13-14(7-11)23-16-19-12(9-20(13)16)15(21)18-10-3-2-6-17-8-10/h2-9H,1H3,(H,18,21).
What are the key properties of 6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-pyridin-3-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide is sourced from PubChem (CID 126617758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).