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

C12H23Cl2N5OS — CID 120565804

IUPAC4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride
SMILESCc1nsc(N2CCN(C(=O)CCC(C)N)CC2)n1.Cl.Cl
InChIInChI=1S/C12H21N5OS.2ClH/c1-9(13)3-4-11(18)16-5-7-17(8-6-16)12-14-10(2)15-19-12;;/h9H,3-8,13H2,1-2H3;2*1H
InChIKeyPKYNFKYTEJMTJB-UHFFFAOYSA-N
MW356.32 g/mol
LogP1.47
Rot. Bonds4

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

4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride (PubChem CID 120565804) has the molecular formula C12H23Cl2N5OS and a molecular weight of 356.32 g/mol. Its IUPAC name is 4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride
PubChem CID120565804
Molecular FormulaC12H23Cl2N5OS
Molecular Weight356.32 g/mol
Exact Mass355.10
IUPAC Name4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride
SMILESCc1nsc(N2CCN(C(=O)CCC(C)N)CC2)n1.Cl.Cl
InChIInChI=1S/C12H21N5OS.2ClH/c1-9(13)3-4-11(18)16-5-7-17(8-6-16)12-14-10(2)15-19-12;;/h9H,3-8,13H2,1-2H3;2*1H
InChIKeyPKYNFKYTEJMTJB-UHFFFAOYSA-N
XLogP1.47
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-one
CID 120565954
4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-one;dihydrochloride
CID 120565953
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 150799132
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-4-phenylbutan-1-one
CID 133316261
2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119894207
2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
CID 133332964
2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 119894259
(1-aminocyclopropyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 119894997
2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 146092856
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
3-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 119893652

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride (CID 120565804) is 4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride is Cc1nsc(N2CCN(C(=O)CCC(C)N)CC2)n1.Cl.Cl.
What is the InChIKey of 4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride?
The InChIKey is PKYNFKYTEJMTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS.2ClH/c1-9(13)3-4-11(18)16-5-7-17(8-6-16)12-14-10(2)15-19-12;;/h9H,3-8,13H2,1-2H3;2*1H.
What are the key properties of 4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride?
4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride has a molecular weight of 356.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride is sourced from PubChem (CID 120565804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).