3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine

C7H13N5S — CID 28908344

IUPAC3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCN(c2nsc(N)n2)CC1
InChIInChI=1S/C7H13N5S/c1-11-2-4-12(5-3-11)7-9-6(8)13-10-7/h2-5H2,1H3,(H2,8,9,10)
InChIKeyKYPGQLFQLVKYEF-UHFFFAOYSA-N
MW199.28 g/mol
LogP-0.13
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine

3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 28908344) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
PubChem CID28908344
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC Name3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCN(c2nsc(N)n2)CC1
InChIInChI=1S/C7H13N5S/c1-11-2-4-12(5-3-11)7-9-6(8)13-10-7/h2-5H2,1H3,(H2,8,9,10)
InChIKeyKYPGQLFQLVKYEF-UHFFFAOYSA-N
XLogP-0.13
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Chloro-1,2,4-thiadiazol-5-yl)-4-methylpiperazine
CID 57712255
5-(Piperazin-1-yl)-1,2,4-thiadiazol-3-amine
CID 71755701
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66280998
3-N,3-N-dipropyl-1,2,4-thiadiazole-3,5-diamine
CID 321851
1-(1,2,4-Thiadiazol-5-YL)piperazine
CID 20384287
3-(4-Methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 23303031
3-(4-Ethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 57162806
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
3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269225
1-(3-Methoxy-[1,2,4]-thiadiazol-5-yl)piperazine
CID 68530741
1-[3-(Methylsulfanyl)-1,2,4-thiadiazol-5-yl]piperazine
CID 68533754

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine (CID 28908344) is 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine is CN1CCN(c2nsc(N)n2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KYPGQLFQLVKYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c1-11-2-4-12(5-3-11)7-9-6(8)13-10-7/h2-5H2,1H3,(H2,8,9,10).
What are the key properties of 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 199.28 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 28908344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).