2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide

C15H20N4OS2 — CID 60567208

IUPAC2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2ccnc(SCC)c2)s1
InChIInChI=1S/C15H20N4OS2/c1-3-5-6-7-12-18-19-15(22-12)17-14(20)11-8-9-16-13(10-11)21-4-2/h8-10H,3-7H2,1-2H3,(H,17,19,20)
InChIKeyOHKSXABONQZPGK-UHFFFAOYSA-N
MW336.49 g/mol
LogP4.03
Rot. Bonds8

About 2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide

2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide (PubChem CID 60567208) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
PubChem CID60567208
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC Name2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2ccnc(SCC)c2)s1
InChIInChI=1S/C15H20N4OS2/c1-3-5-6-7-12-18-19-15(22-12)17-14(20)11-8-9-16-13(10-11)21-4-2/h8-10H,3-7H2,1-2H3,(H,17,19,20)
InChIKeyOHKSXABONQZPGK-UHFFFAOYSA-N
XLogP4.03
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide (CID 60567208) is 2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide is CCCCCc1nnc(NC(=O)c2ccnc(SCC)c2)s1.
What is the InChIKey of 2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is OHKSXABONQZPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-3-5-6-7-12-18-19-15(22-12)17-14(20)11-8-9-16-13(10-11)21-4-2/h8-10H,3-7H2,1-2H3,(H,17,19,20).
What are the key properties of 2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 336.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60567208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).