3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole

C8H14N4S — CID 57162806

IUPAC3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCN1CCN(c2ncsn2)CC1
InChIInChI=1S/C8H14N4S/c1-2-11-3-5-12(6-4-11)8-9-7-13-10-8/h7H,2-6H2,1H3
InChIKeyBTVZTMMCVRKDBA-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.68
Rot. Bonds2

About 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole

3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 57162806) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID57162806
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCN1CCN(c2ncsn2)CC1
InChIInChI=1S/C8H14N4S/c1-2-11-3-5-12(6-4-11)8-9-7-13-10-8/h7H,2-6H2,1H3
InChIKeyBTVZTMMCVRKDBA-UHFFFAOYSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Chloro-1,2,4-thiadiazol-5-yl)-4-methylpiperazine
CID 57712255
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
1-[4-(1,2,4-Thiadiazol-3-yl)piperazin-1-yl]ethanone
CID 57098981
3-(4-Propylpiperazin-1-yl)-1,2,4-thiadiazole
CID 57268698
5-(4-Methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 130164669
N,N-diethyl-1,2,4-thiadiazol-5-amine
CID 130557685
3-(4-Ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
CID 28908351
5-Chloro-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 65267143

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole (CID 57162806) is 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole is CCN1CCN(c2ncsn2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is BTVZTMMCVRKDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-2-11-3-5-12(6-4-11)8-9-7-13-10-8/h7H,2-6H2,1H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole?
3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 198.29 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 57162806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).