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

C7H12N4S — CID 23303031

IUPAC3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCN1CCN(c2ncsn2)CC1
InChIInChI=1S/C7H12N4S/c1-10-2-4-11(5-3-10)7-8-6-12-9-7/h6H,2-5H2,1H3
InChIKeyACYILDCRWZHGGI-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.29
Rot. Bonds1

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

3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 23303031) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID23303031
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCN1CCN(c2ncsn2)CC1
InChIInChI=1S/C7H12N4S/c1-10-2-4-11(5-3-10)7-8-6-12-9-7/h6H,2-5H2,1H3
InChIKeyACYILDCRWZHGGI-UHFFFAOYSA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.29
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-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-Ethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 57162806
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-Piperidin-1-yl-1,2,4-thiadiazole
CID 175948156
3-(4-Ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
CID 28908351

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole (CID 23303031) is 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole is CN1CCN(c2ncsn2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is ACYILDCRWZHGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-10-2-4-11(5-3-10)7-8-6-12-9-7/h6H,2-5H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole?
3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 184.27 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 23303031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).