2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone

C10H16N4OS2 — CID 972493

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CSc2nnc(N)s2)CC1
InChIInChI=1S/C10H16N4OS2/c1-7-2-4-14(5-3-7)8(15)6-16-10-13-12-9(11)17-10/h7H,2-6H2,1H3,(H2,11,12)
InChIKeyQOWLFRCZCIDODF-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.47
Rot. Bonds3

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 972493) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID972493
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CSc2nnc(N)s2)CC1
InChIInChI=1S/C10H16N4OS2/c1-7-2-4-14(5-3-7)8(15)6-16-10-13-12-9(11)17-10/h7H,2-6H2,1H3,(H2,11,12)
InChIKeyQOWLFRCZCIDODF-UHFFFAOYSA-N
XLogP1.47
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.47
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)thio)-N-cyclohexyl-N-methylacetamide
CID 4809512
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
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 86286131
1-(4-Methylpiperidin-1-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 47086585
1-(4-Methylpiperidin-1-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 47086588
(2R)-1-(4-methylpiperidin-1-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 52472372
(2S)-1-(4-methylpiperidin-1-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 52472373
2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 1084773
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-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-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone (CID 972493) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CSc2nnc(N)s2)CC1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is QOWLFRCZCIDODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS2/c1-7-2-4-14(5-3-7)8(15)6-16-10-13-12-9(11)17-10/h7H,2-6H2,1H3,(H2,11,12).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 272.40 g/mol, XLogP of 1.47, 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-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 972493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).