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

C13H16N4O2S2 — CID 2541702

IUPAC2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESCCCSc1nsc(NC(=O)c2cccnc2OCC)n1
InChIInChI=1S/C13H16N4O2S2/c1-3-8-20-13-16-12(21-17-13)15-10(18)9-6-5-7-14-11(9)19-4-2/h5-7H,3-4,8H2,1-2H3,(H,15,16,17,18)
InChIKeyKLTKQNOKIUKXIB-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.09
Rot. Bonds7

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

2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide (PubChem CID 2541702) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
PubChem CID2541702
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESCCCSc1nsc(NC(=O)c2cccnc2OCC)n1
InChIInChI=1S/C13H16N4O2S2/c1-3-8-20-13-16-12(21-17-13)15-10(18)9-6-5-7-14-11(9)19-4-2/h5-7H,3-4,8H2,1-2H3,(H,15,16,17,18)
InChIKeyKLTKQNOKIUKXIB-UHFFFAOYSA-N
XLogP3.09
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide (CID 2541702) is 2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide is CCCSc1nsc(NC(=O)c2cccnc2OCC)n1.
What is the InChIKey of 2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The InChIKey is KLTKQNOKIUKXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-3-8-20-13-16-12(21-17-13)15-10(18)9-6-5-7-14-11(9)19-4-2/h5-7H,3-4,8H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2541702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).