2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide

C10H18N4OS2 — CID 9199544

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide
SMILESCCCCN(CC)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C10H18N4OS2/c1-3-5-6-14(4-2)8(15)7-16-10-13-12-9(11)17-10/h3-7H2,1-2H3,(H2,11,12)
InChIKeyOUTWWTRSWGHQRI-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.86
Rot. Bonds7

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide (PubChem CID 9199544) has the molecular formula C10H18N4OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide
PubChem CID9199544
Molecular FormulaC10H18N4OS2
Molecular Weight274.41 g/mol
Exact Mass274.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide
SMILESCCCCN(CC)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C10H18N4OS2/c1-3-5-6-14(4-2)8(15)7-16-10-13-12-9(11)17-10/h3-7H2,1-2H3,(H2,11,12)
InChIKeyOUTWWTRSWGHQRI-UHFFFAOYSA-N
XLogP1.86
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide 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 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide (CID 9199544) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide is CCCCN(CC)C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide?
The InChIKey is OUTWWTRSWGHQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS2/c1-3-5-6-14(4-2)8(15)7-16-10-13-12-9(11)17-10/h3-7H2,1-2H3,(H2,11,12).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide has a molecular weight of 274.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide is sourced from PubChem (CID 9199544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).