2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C13H20N4O2S — CID 47336466

IUPAC2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC1CCN(C(=O)C(=O)Nc2nnc(C(C)C)s2)CC1
InChIInChI=1S/C13H20N4O2S/c1-8(2)11-15-16-13(20-11)14-10(18)12(19)17-6-4-9(3)5-7-17/h8-9H,4-7H2,1-3H3,(H,14,16,18)
InChIKeySXRPWTYLYKXGPG-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.86
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 47336466) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID47336466
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC1CCN(C(=O)C(=O)Nc2nnc(C(C)C)s2)CC1
InChIInChI=1S/C13H20N4O2S/c1-8(2)11-15-16-13(20-11)14-10(18)12(19)17-6-4-9(3)5-7-17/h8-9H,4-7H2,1-3H3,(H,14,16,18)
InChIKeySXRPWTYLYKXGPG-UHFFFAOYSA-N
XLogP1.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 47336466) is 2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC1CCN(C(=O)C(=O)Nc2nnc(C(C)C)s2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SXRPWTYLYKXGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-8(2)11-15-16-13(20-11)14-10(18)12(19)17-6-4-9(3)5-7-17/h8-9H,4-7H2,1-3H3,(H,14,16,18).
What are the key properties of 2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 296.40 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 47336466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).