2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide

C13H13N5O2S2 — CID 4066259

IUPAC2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
SMILESO=C(NC1=NCCS1)c1cccc(C(=O)NC2=NCCS2)n1
InChIInChI=1S/C13H13N5O2S2/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/h1-3H,4-7H2,(H,14,17,19)(H,15,18,20)
InChIKeyKSXJORQUPRBIKJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.75
Rot. Bonds2

About 2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide (PubChem CID 4066259) has the molecular formula C13H13N5O2S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
PubChem CID4066259
Molecular FormulaC13H13N5O2S2
Molecular Weight335.41 g/mol
Exact Mass335.05
IUPAC Name2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
SMILESO=C(NC1=NCCS1)c1cccc(C(=O)NC2=NCCS2)n1
InChIInChI=1S/C13H13N5O2S2/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/h1-3H,4-7H2,(H,14,17,19)(H,15,18,20)
InChIKeyKSXJORQUPRBIKJ-UHFFFAOYSA-N
XLogP0.75
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.75
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(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide (CID 4066259) is 2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide is O=C(NC1=NCCS1)c1cccc(C(=O)NC2=NCCS2)n1.
What is the InChIKey of 2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide?
The InChIKey is KSXJORQUPRBIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S2/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/h1-3H,4-7H2,(H,14,17,19)(H,15,18,20).
What are the key properties of 2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide has a molecular weight of 335.41 g/mol, XLogP of 0.75, 2 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(4,5-dihydro-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 4066259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).