1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one

C15H24N6O2S — CID 75478152

IUPAC1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCc1nsc(N2CCCN(C(=O)CN3CCN(C)C(=O)C3)CC2)n1
InChIInChI=1S/C15H24N6O2S/c1-12-16-15(24-17-12)21-5-3-4-20(8-9-21)14(23)11-19-7-6-18(2)13(22)10-19/h3-11H2,1-2H3
InChIKeyZKRWCBYNRGJXBK-UHFFFAOYSA-N
MW352.46 g/mol
LogP-0.34
Rot. Bonds3

About 1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one

1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 75478152) has the molecular formula C15H24N6O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID75478152
Molecular FormulaC15H24N6O2S
Molecular Weight352.46 g/mol
Exact Mass352.17
IUPAC Name1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCc1nsc(N2CCCN(C(=O)CN3CCN(C)C(=O)C3)CC2)n1
InChIInChI=1S/C15H24N6O2S/c1-12-16-15(24-17-12)21-5-3-4-20(8-9-21)14(23)11-19-7-6-18(2)13(22)10-19/h3-11H2,1-2H3
InChIKeyZKRWCBYNRGJXBK-UHFFFAOYSA-N
XLogP-0.34
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 71925886
N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925922
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925915
N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925917
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one
CID 75377879
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 71926255
1-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2,2,3,3-tetrafluoropropan-1-one
CID 154749869
1-[2,3,5,6-Tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 71277803
4-[2-(dimethylamino)ethyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1,4-diazepane-1-carboxamide
CID 46983078
2-[Methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
CID 65273629
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone
CID 65275661

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one (CID 75478152) is 1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one is Cc1nsc(N2CCCN(C(=O)CN3CCN(C)C(=O)C3)CC2)n1.
What is the InChIKey of 1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is ZKRWCBYNRGJXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S/c1-12-16-15(24-17-12)21-5-3-4-20(8-9-21)14(23)11-19-7-6-18(2)13(22)10-19/h3-11H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one?
1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 352.46 g/mol, XLogP of -0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 75478152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).