2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide

C13H9N5O2S2 — CID 5069143

IUPAC2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1nccs1)c1cccc(C(=O)Nc2nccs2)n1
InChIInChI=1S/C13H9N5O2S2/c19-10(17-12-14-4-6-21-12)8-2-1-3-9(16-8)11(20)18-13-15-5-7-22-13/h1-7H,(H,14,17,19)(H,15,18,20)
InChIKeyBKEQWYWAROACFC-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.50
Rot. Bonds4

About 2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide (PubChem CID 5069143) has the molecular formula C13H9N5O2S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
PubChem CID5069143
Molecular FormulaC13H9N5O2S2
Molecular Weight331.38 g/mol
Exact Mass331.02
IUPAC Name2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1nccs1)c1cccc(C(=O)Nc2nccs2)n1
InChIInChI=1S/C13H9N5O2S2/c19-10(17-12-14-4-6-21-12)8-2-1-3-9(16-8)11(20)18-13-15-5-7-22-13/h1-7H,(H,14,17,19)(H,15,18,20)
InChIKeyBKEQWYWAROACFC-UHFFFAOYSA-N
XLogP2.50
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide (CID 5069143) is 2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide is O=C(Nc1nccs1)c1cccc(C(=O)Nc2nccs2)n1.
What is the InChIKey of 2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide?
The InChIKey is BKEQWYWAROACFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2S2/c19-10(17-12-14-4-6-21-12)8-2-1-3-9(16-8)11(20)18-13-15-5-7-22-13/h1-7H,(H,14,17,19)(H,15,18,20).
What are the key properties of 2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 5069143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).