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

C10H18N4OS2 — CID 13048752

IUPAC4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCSc1nnc(N)s1
InChIInChI=1S/C10H18N4OS2/c1-3-14(4-2)8(15)6-5-7-16-10-13-12-9(11)17-10/h3-7H2,1-2H3,(H2,11,12)
InChIKeyJVLBFNGKDCEOJG-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.86
Rot. Bonds7

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

4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide (PubChem CID 13048752) has the molecular formula C10H18N4OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide
PubChem CID13048752
Molecular FormulaC10H18N4OS2
Molecular Weight274.41 g/mol
Exact Mass274.09
IUPAC Name4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCSc1nnc(N)s1
InChIInChI=1S/C10H18N4OS2/c1-3-14(4-2)8(15)6-5-7-16-10-13-12-9(11)17-10/h3-7H2,1-2H3,(H2,11,12)
InChIKeyJVLBFNGKDCEOJG-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

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(piperidin-1-yl)ethanone
CID 2057116
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-cyclohexyl-N-methylacetamide
CID 4809512
5-[(2-Oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-thiadiazol-2-amine
CID 558211
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-1-(azepan-1-yl)ethan-1-one
CID 4805007
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N,N-diethyl-acetamide
CID 838722
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 2426479
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 4883182
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(3-methylbutyl)acetamide
CID 16266977
2-(5-Amino(1,3,4-thiadiazol-2-ylthio))-1-(3,5-dimethylpiperidyl)propan-1-one
CID 16266980
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-propan-2-ylacetamide
CID 16360810
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 24243810
1-[2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 20454970

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide?
The IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide (CID 13048752) is 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide.
What is the SMILES notation for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide?
The canonical SMILES for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide is CCN(CC)C(=O)CCCSc1nnc(N)s1.
What is the InChIKey of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide?
The InChIKey is JVLBFNGKDCEOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS2/c1-3-14(4-2)8(15)6-5-7-16-10-13-12-9(11)17-10/h3-7H2,1-2H3,(H2,11,12).
What are the key properties of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide?
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide 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 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide is sourced from PubChem (CID 13048752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).