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

C13H25Cl2N5O2S — CID 120597216

IUPAC4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride
SMILESCCc1nsc(N2CCN(C(=O)CC(CN)OC)CC2)n1.Cl.Cl
InChIInChI=1S/C13H23N5O2S.2ClH/c1-3-11-15-13(21-16-11)18-6-4-17(5-7-18)12(19)8-10(9-14)20-2;;/h10H,3-9,14H2,1-2H3;2*1H
InChIKeyQPDCLVOTRZTLHU-UHFFFAOYSA-N
MW386.35 g/mol
LogP0.96
Rot. Bonds6

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

4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride (PubChem CID 120597216) has the molecular formula C13H25Cl2N5O2S and a molecular weight of 386.35 g/mol. Its IUPAC name is 4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride
PubChem CID120597216
Molecular FormulaC13H25Cl2N5O2S
Molecular Weight386.35 g/mol
Exact Mass385.11
IUPAC Name4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride
SMILESCCc1nsc(N2CCN(C(=O)CC(CN)OC)CC2)n1.Cl.Cl
InChIInChI=1S/C13H23N5O2S.2ClH/c1-3-11-15-13(21-16-11)18-6-4-17(5-7-18)12(19)8-10(9-14)20-2;;/h10H,3-9,14H2,1-2H3;2*1H
InChIKeyQPDCLVOTRZTLHU-UHFFFAOYSA-N
XLogP0.96
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 119893652
4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-one
CID 120565954
7-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]heptan-1-one
CID 119899749
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-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylethanone
CID 133332976
ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate
CID 124505890
methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate
CID 133328682
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
CID 133328642
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-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 133333041
cyclopentyl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332977
4-amino-1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120596631

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride (CID 120597216) is 4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride is CCc1nsc(N2CCN(C(=O)CC(CN)OC)CC2)n1.Cl.Cl.
What is the InChIKey of 4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride?
The InChIKey is QPDCLVOTRZTLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S.2ClH/c1-3-11-15-13(21-16-11)18-6-4-17(5-7-18)12(19)8-10(9-14)20-2;;/h10H,3-9,14H2,1-2H3;2*1H.
What are the key properties of 4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride?
4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride has a molecular weight of 386.35 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride is sourced from PubChem (CID 120597216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).