2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

C13H20N4O2S2 — CID 1084773

IUPAC2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nnc(SCC(=O)N2CCCCC2)s1
InChIInChI=1S/C13H20N4O2S2/c1-9(2)11(19)14-12-15-16-13(21-12)20-8-10(18)17-6-4-3-5-7-17/h9H,3-8H2,1-2H3,(H,14,15,19)
InChIKeyZLOPAZLTWWYLHK-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.24
Rot. Bonds5

About 2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 1084773) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID1084773
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nnc(SCC(=O)N2CCCCC2)s1
InChIInChI=1S/C13H20N4O2S2/c1-9(2)11(19)14-12-15-16-13(21-12)20-8-10(18)17-6-4-3-5-7-17/h9H,3-8H2,1-2H3,(H,14,15,19)
InChIKeyZLOPAZLTWWYLHK-UHFFFAOYSA-N
XLogP2.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (CID 1084773) is 2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is CC(C)C(=O)Nc1nnc(SCC(=O)N2CCCCC2)s1.
What is the InChIKey of 2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is ZLOPAZLTWWYLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-9(2)11(19)14-12-15-16-13(21-12)20-8-10(18)17-6-4-3-5-7-17/h9H,3-8H2,1-2H3,(H,14,15,19).
What are the key properties of 2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 328.46 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 1084773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).