4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one

C16H20N4O2S — CID 75503280

IUPAC4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(c2nnc(Cc3ccccc3)s2)CC1=O
InChIInChI=1S/C16H20N4O2S/c1-22-10-9-19-7-8-20(12-15(19)21)16-18-17-14(23-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyQNFODFWIKUDOIC-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.42
Rot. Bonds6

About 4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one

4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one (PubChem CID 75503280) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one
PubChem CID75503280
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(c2nnc(Cc3ccccc3)s2)CC1=O
InChIInChI=1S/C16H20N4O2S/c1-22-10-9-19-7-8-20(12-15(19)21)16-18-17-14(23-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyQNFODFWIKUDOIC-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one?
The IUPAC name of 4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one (CID 75503280) is 4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one.
What is the SMILES notation for 4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one?
The canonical SMILES for 4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one is COCCN1CCN(c2nnc(Cc3ccccc3)s2)CC1=O.
What is the InChIKey of 4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one?
The InChIKey is QNFODFWIKUDOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-22-10-9-19-7-8-20(12-15(19)21)16-18-17-14(23-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of 4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one?
4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one has a molecular weight of 332.43 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)piperazin-2-one is sourced from PubChem (CID 75503280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).