2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone

C9H14N4OS2 — CID 2057116

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone
SMILESNc1nnc(SCC(=O)N2CCCCC2)s1
InChIInChI=1S/C9H14N4OS2/c10-8-11-12-9(16-8)15-6-7(14)13-4-2-1-3-5-13/h1-6H2,(H2,10,11)
InChIKeyVJBUONQBMIRWSK-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.22
Rot. Bonds3

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone (PubChem CID 2057116) has the molecular formula C9H14N4OS2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone
PubChem CID2057116
Molecular FormulaC9H14N4OS2
Molecular Weight258.37 g/mol
Exact Mass258.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone
SMILESNc1nnc(SCC(=O)N2CCCCC2)s1
InChIInChI=1S/C9H14N4OS2/c10-8-11-12-9(16-8)15-6-7(14)13-4-2-1-3-5-13/h1-6H2,(H2,10,11)
InChIKeyVJBUONQBMIRWSK-UHFFFAOYSA-N
XLogP1.22
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-cyclohexyl-N-methylacetamide
CID 4809512
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 972493
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 3394106
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4805006
5-[(2-Oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-thiadiazol-2-amine
CID 558211
N-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
CID 1084777
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-1-(azepan-1-yl)ethan-1-one
CID 4805007
1-Piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 47086615
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N,N-diethyl-acetamide
CID 838722
1-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 1847764
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide
CID 2391177
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 2426479

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone (CID 2057116) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone is Nc1nnc(SCC(=O)N2CCCCC2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone?
The InChIKey is VJBUONQBMIRWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS2/c10-8-11-12-9(16-8)15-6-7(14)13-4-2-1-3-5-13/h1-6H2,(H2,10,11).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone has a molecular weight of 258.37 g/mol, XLogP of 1.22, 3 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]-1-piperidin-1-ylethanone is sourced from PubChem (CID 2057116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).