2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide

C16H16N4O2S2 — CID 126787754

IUPAC2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
SMILESCCC(C)Oc1cc(C(=O)Nc2nnc(-c3ccsc3)s2)ccn1
InChIInChI=1S/C16H16N4O2S2/c1-3-10(2)22-13-8-11(4-6-17-13)14(21)18-16-20-19-15(24-16)12-5-7-23-9-12/h4-10H,3H2,1-2H3,(H,18,20,21)
InChIKeyZSXGRPQZOHTXPH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.09
Rot. Bonds6

About 2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide

2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide (PubChem CID 126787754) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
PubChem CID126787754
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
SMILESCCC(C)Oc1cc(C(=O)Nc2nnc(-c3ccsc3)s2)ccn1
InChIInChI=1S/C16H16N4O2S2/c1-3-10(2)22-13-8-11(4-6-17-13)14(21)18-16-20-19-15(24-16)12-5-7-23-9-12/h4-10H,3H2,1-2H3,(H,18,20,21)
InChIKeyZSXGRPQZOHTXPH-UHFFFAOYSA-N
XLogP4.09
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide (CID 126787754) is 2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide is CCC(C)Oc1cc(C(=O)Nc2nnc(-c3ccsc3)s2)ccn1.
What is the InChIKey of 2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is ZSXGRPQZOHTXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-3-10(2)22-13-8-11(4-6-17-13)14(21)18-16-20-19-15(24-16)12-5-7-23-9-12/h4-10H,3H2,1-2H3,(H,18,20,21).
What are the key properties of 2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 126787754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).