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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
3,4,5-triethoxy-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3749207
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide
CID 108801746
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide
CID 24617419
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 31038115
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421339

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).