ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate

C9H15N5O2S — CID 103757761

IUPACethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(N)ns2)CC1
InChIInChI=1S/C9H15N5O2S/c1-2-16-9(15)14-5-3-13(4-6-14)8-11-7(10)12-17-8/h2-6H2,1H3,(H2,10,12)
InChIKeyLLXPXKYMOMDWOZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP0.40
Rot. Bonds2

About ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate

ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate (PubChem CID 103757761) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
PubChem CID103757761
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Nameethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(N)ns2)CC1
InChIInChI=1S/C9H15N5O2S/c1-2-16-9(15)14-5-3-13(4-6-14)8-11-7(10)12-17-8/h2-6H2,1H3,(H2,10,12)
InChIKeyLLXPXKYMOMDWOZ-UHFFFAOYSA-N
XLogP0.40
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate 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

1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine
CID 66280784
ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 104526987
ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 1481937
5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 66280341
ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate
CID 124505890
5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 66280995
[4-(3-amino-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CID 11588973
ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
CID 133054505
4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565804
5-(4-methoxypiperidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 66278144
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 ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate (CID 103757761) is ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(N)ns2)CC1.
What is the InChIKey of ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
The InChIKey is LLXPXKYMOMDWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-2-16-9(15)14-5-3-13(4-6-14)8-11-7(10)12-17-8/h2-6H2,1H3,(H2,10,12).
What are the key properties of ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate has a molecular weight of 257.32 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 103757761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).