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

C10H16N4OS2 — CID 8633221

IUPAC(2R)-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-/m1/s1
InChIKeyYBOQIXCBVYOUQL-SSDOTTSWSA-N
MW272.40 g/mol
LogP1.61
Rot. Bonds3

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

(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one (PubChem CID 8633221) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one
PubChem CID8633221
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC Name(2R)-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-/m1/s1
InChIKeyYBOQIXCBVYOUQL-SSDOTTSWSA-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

Analyze (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one (CID 8633221) is (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-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 (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is YBOQIXCBVYOUQL-SSDOTTSWSA-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-/m1/s1.
What are the key properties of (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one?
(2R)-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 (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 8633221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).