5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide

C10H18N4OS2 — CID 114117633

IUPAC5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCC(CC)(CNC(=O)c1nnc(N)s1)SC
InChIInChI=1S/C10H18N4OS2/c1-4-10(5-2,16-3)6-12-7(15)8-13-14-9(11)17-8/h4-6H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyYMEPNGZDJYTDNZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.77
Rot. Bonds6

About 5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 114117633) has the molecular formula C10H18N4OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID114117633
Molecular FormulaC10H18N4OS2
Molecular Weight274.41 g/mol
Exact Mass274.09
IUPAC Name5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCC(CC)(CNC(=O)c1nnc(N)s1)SC
InChIInChI=1S/C10H18N4OS2/c1-4-10(5-2,16-3)6-12-7(15)8-13-14-9(11)17-8/h4-6H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyYMEPNGZDJYTDNZ-UHFFFAOYSA-N
XLogP1.77
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide (CID 114117633) is 5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide is CCC(CC)(CNC(=O)c1nnc(N)s1)SC.
What is the InChIKey of 5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YMEPNGZDJYTDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS2/c1-4-10(5-2,16-3)6-12-7(15)8-13-14-9(11)17-8/h4-6H2,1-3H3,(H2,11,14)(H,12,15).
What are the key properties of 5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 114117633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).