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

C11H18N4OS2 — CID 4805006

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CSc2nnc(N)s2)C1
InChIInChI=1S/C11H18N4OS2/c1-7-3-8(2)5-15(4-7)9(16)6-17-11-14-13-10(12)18-11/h7-8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyHXUTWZFOPNBJLY-UHFFFAOYSA-N
MW286.43 g/mol
LogP1.72
Rot. Bonds3

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 4805006) has the molecular formula C11H18N4OS2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID4805006
Molecular FormulaC11H18N4OS2
Molecular Weight286.43 g/mol
Exact Mass286.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CSc2nnc(N)s2)C1
InChIInChI=1S/C11H18N4OS2/c1-7-3-8(2)5-15(4-7)9(16)6-17-11-14-13-10(12)18-11/h7-8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyHXUTWZFOPNBJLY-UHFFFAOYSA-N
XLogP1.72
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone 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 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 4805006) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone is CC1CC(C)CN(C(=O)CSc2nnc(N)s2)C1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is HXUTWZFOPNBJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS2/c1-7-3-8(2)5-15(4-7)9(16)6-17-11-14-13-10(12)18-11/h7-8H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 286.43 g/mol, XLogP of 1.72, 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-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 4805006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).