2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine

C8H15N5S — CID 65270341

IUPAC2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2ncns2)CC1
InChIInChI=1S/C8H15N5S/c9-1-2-12-3-5-13(6-4-12)8-10-7-11-14-8/h7H,1-6,9H2
InChIKeyFDEYJDRBPMMLLF-UHFFFAOYSA-N
MW213.31 g/mol
LogP-0.38
Rot. Bonds3

About 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine

2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine (PubChem CID 65270341) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine
PubChem CID65270341
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2ncns2)CC1
InChIInChI=1S/C8H15N5S/c9-1-2-12-3-5-13(6-4-12)8-10-7-11-14-8/h7H,1-6,9H2
InChIKeyFDEYJDRBPMMLLF-UHFFFAOYSA-N
XLogP-0.38
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Piperazin-1-yl)-1,2,4-thiadiazol-3-amine
CID 71755701
N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 107493998
N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494203
3-Piperazin-1-yl-1,2,4-thiadiazole
CID 18787135
1-(1,2,4-Thiadiazol-5-YL)piperazine
CID 20384287
3-(4-Methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 23303031
3-(4-Butylpiperazin-1-yl)-1,2,4-thiadiazole
CID 23303067
3-(4-Methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
CID 28908344
3-(4-Ethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 57162806
3-(4-Propylpiperazin-1-yl)-1,2,4-thiadiazole
CID 57268698
3-(4-Methylpiperazin-1-yl)-5-piperazin-1-yl-1,2,4-thiadiazole
CID 57712252
N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
CID 65268913

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine (CID 65270341) is 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine is NCCN1CCN(c2ncns2)CC1.
What is the InChIKey of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine?
The InChIKey is FDEYJDRBPMMLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c9-1-2-12-3-5-13(6-4-12)8-10-7-11-14-8/h7H,1-6,9H2.
What are the key properties of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine?
2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine has a molecular weight of 213.31 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 65270341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).