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

C10H16N4OS2 — CID 8633218

IUPAC(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one
SMILESC[C@H](Sc1nnc(N)s1)C(=O)N1CCCCC1
InChIInChI=1S/C10H16N4OS2/c1-7(16-10-13-12-9(11)17-10)8(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H2,11,12)/t7-/m0/s1
InChIKeyYBOQIXCBVYOUQL-ZETCQYMHSA-N
MW272.40 g/mol
LogP1.61
Rot. Bonds3

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

(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one (PubChem CID 8633218) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one
PubChem CID8633218
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC Name(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one
SMILESC[C@H](Sc1nnc(N)s1)C(=O)N1CCCCC1
InChIInChI=1S/C10H16N4OS2/c1-7(16-10-13-12-9(11)17-10)8(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H2,11,12)/t7-/m0/s1
InChIKeyYBOQIXCBVYOUQL-ZETCQYMHSA-N
XLogP1.61
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 ≤ 51.61
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
N-[5-(2-Oxo-2-piperidin-1-yl-ethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-butyramide
CID 1084779
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
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
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N,N-diethyl-acetamide
CID 838722
2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 1084773
N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 1084778
1-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 1847764

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one (CID 8633218) is (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one is C[C@H](Sc1nnc(N)s1)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is YBOQIXCBVYOUQL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4OS2/c1-7(16-10-13-12-9(11)17-10)8(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H2,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one?
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 272.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 8633218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).