2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride

C11H21Cl2N5OS — CID 119894207

IUPAC2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCc1nsc(N2CCN(C(=O)C(C)(C)N)CC2)n1.Cl.Cl
InChIInChI=1S/C11H19N5OS.2ClH/c1-8-13-10(18-14-8)16-6-4-15(5-7-16)9(17)11(2,3)12;;/h4-7,12H2,1-3H3;2*1H
InChIKeyIRZDFWGXQYXXRW-UHFFFAOYSA-N
MW342.30 g/mol
LogP1.08
Rot. Bonds2

About 2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride

2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119894207) has the molecular formula C11H21Cl2N5OS and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119894207
Molecular FormulaC11H21Cl2N5OS
Molecular Weight342.30 g/mol
Exact Mass341.08
IUPAC Name2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCc1nsc(N2CCN(C(=O)C(C)(C)N)CC2)n1.Cl.Cl
InChIInChI=1S/C11H19N5OS.2ClH/c1-8-13-10(18-14-8)16-6-4-15(5-7-16)9(17)11(2,3)12;;/h4-7,12H2,1-3H3;2*1H
InChIKeyIRZDFWGXQYXXRW-UHFFFAOYSA-N
XLogP1.08
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119899756
(1-aminocyclopropyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 119894997
2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
CID 133332964
4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565804
(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 71980627
(3-aminocyclohexyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 119894220
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 71983988
cycloheptyl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 71926251
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 120801116
1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 150799132

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 119894207) is 2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride is Cc1nsc(N2CCN(C(=O)C(C)(C)N)CC2)n1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is IRZDFWGXQYXXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS.2ClH/c1-8-13-10(18-14-8)16-6-4-15(5-7-16)9(17)11(2,3)12;;/h4-7,12H2,1-3H3;2*1H.
What are the key properties of 2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride?
2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 342.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119894207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).