2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one

C11H18N4OS — CID 126853225

IUPAC2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2cnsn2)CC1
InChIInChI=1S/C11H18N4OS/c1-11(2,3)10(16)15-6-4-14(5-7-15)9-8-12-17-13-9/h8H,4-7H2,1-3H3
InChIKeyJZFDVJBGCWAXJC-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.23
Rot. Bonds1

About 2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 126853225) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one
PubChem CID126853225
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2cnsn2)CC1
InChIInChI=1S/C11H18N4OS/c1-11(2,3)10(16)15-6-4-14(5-7-15)9-8-12-17-13-9/h8H,4-7H2,1-3H3
InChIKeyJZFDVJBGCWAXJC-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047688
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 82331730
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113075589
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113080329
2,2-dimethyl-1-[4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-1-one
CID 86696459
2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
CID 171335437
1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133335378
1,3-benzodioxol-5-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone
CID 126851136
4-bromo-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303289
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 43462396
1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one (CID 126853225) is 2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCN(c2cnsn2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is JZFDVJBGCWAXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-11(2,3)10(16)15-6-4-14(5-7-15)9-8-12-17-13-9/h8H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 254.36 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 126853225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).