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

C8H14N4OS2 — CID 838722

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H14N4OS2/c1-3-12(4-2)6(13)5-14-8-11-10-7(9)15-8/h3-5H2,1-2H3,(H2,9,10)
InChIKeyDEGAVFMWIQZDTL-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.08
Rot. Bonds5

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide (PubChem CID 838722) has the molecular formula C8H14N4OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide
PubChem CID838722
Molecular FormulaC8H14N4OS2
Molecular Weight246.36 g/mol
Exact Mass246.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H14N4OS2/c1-3-12(4-2)6(13)5-14-8-11-10-7(9)15-8/h3-5H2,1-2H3,(H2,9,10)
InChIKeyDEGAVFMWIQZDTL-UHFFFAOYSA-N
XLogP1.08
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)sulfanyl]-N,N-dimethylacetamide
CID 1281680
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-ethyl-N-(2-methylallyl)acetamide
CID 8633127
5-[(2-Oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-thiadiazol-2-amine
CID 558211
Cambridge id 6962708
CID 801760
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(prop-2-en-1-yl)acetamide
CID 1258061
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-isopropyl-acetamide
CID 8633017
2-((5-amino-1,3,4-thiadiazol-2-yl)thio)-N-isobutylacetamide
CID 16524208
C9H16ClN5OS2
CID 2952753
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
N-ethyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 17408662

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide (CID 838722) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide?
The InChIKey is DEGAVFMWIQZDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS2/c1-3-12(4-2)6(13)5-14-8-11-10-7(9)15-8/h3-5H2,1-2H3,(H2,9,10).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide has a molecular weight of 246.36 g/mol, XLogP of 1.08, 5 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,N-diethylacetamide is sourced from PubChem (CID 838722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).