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

C12H18N4O3S2 — CID 1470474

IUPAC2-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1nnc(SCC(=O)N2CCCCC2)s1
InChIInChI=1S/C12H18N4O3S2/c1-19-7-9(17)13-11-14-15-12(21-11)20-8-10(18)16-5-3-2-4-6-16/h2-8H2,1H3,(H,13,14,17)
InChIKeyIYKNOCUBRIMXQQ-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.23
Rot. Bonds6

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

2-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 1470474) has the molecular formula C12H18N4O3S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID1470474
Molecular FormulaC12H18N4O3S2
Molecular Weight330.44 g/mol
Exact Mass330.08
IUPAC Name2-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1nnc(SCC(=O)N2CCCCC2)s1
InChIInChI=1S/C12H18N4O3S2/c1-19-7-9(17)13-11-14-15-12(21-11)20-8-10(18)16-5-3-2-4-6-16/h2-8H2,1H3,(H,13,14,17)
InChIKeyIYKNOCUBRIMXQQ-UHFFFAOYSA-N
XLogP1.23
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (CID 1470474) is 2-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is COCC(=O)Nc1nnc(SCC(=O)N2CCCCC2)s1.
What is the InChIKey of 2-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is IYKNOCUBRIMXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S2/c1-19-7-9(17)13-11-14-15-12(21-11)20-8-10(18)16-5-3-2-4-6-16/h2-8H2,1H3,(H,13,14,17).
What are the key properties of 2-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
2-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 330.44 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 1470474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).