2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C15H20N4O2S — CID 2114513

IUPAC2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1nnc(C(CC)CC)s1
InChIInChI=1S/C15H20N4O2S/c1-4-10(5-2)14-18-19-15(22-14)17-12(20)11-8-7-9-16-13(11)21-6-3/h7-10H,4-6H2,1-3H3,(H,17,19,20)
InChIKeyCPIDUWWVZRVYRT-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.49
Rot. Bonds7

About 2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 2114513) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID2114513
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1nnc(C(CC)CC)s1
InChIInChI=1S/C15H20N4O2S/c1-4-10(5-2)14-18-19-15(22-14)17-12(20)11-8-7-9-16-13(11)21-6-3/h7-10H,4-6H2,1-3H3,(H,17,19,20)
InChIKeyCPIDUWWVZRVYRT-UHFFFAOYSA-N
XLogP3.49
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 2114513) is 2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1nnc(C(CC)CC)s1.
What is the InChIKey of 2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is CPIDUWWVZRVYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-10(5-2)14-18-19-15(22-14)17-12(20)11-8-7-9-16-13(11)21-6-3/h7-10H,4-6H2,1-3H3,(H,17,19,20).
What are the key properties of 2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2114513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).