5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine

C9H18N6S — CID 66278571

IUPAC5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCN1CCN(C)C(CNc2nc(N)ns2)C1
InChIInChI=1S/C9H18N6S/c1-14-3-4-15(2)7(6-14)5-11-9-12-8(10)13-16-9/h7H,3-6H2,1-2H3,(H3,10,11,12,13)
InChIKeyRRLXWYQMNSQRAA-UHFFFAOYSA-N
MW242.35 g/mol
LogP-0.22
Rot. Bonds3

About 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278571) has the molecular formula C9H18N6S and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278571
Molecular FormulaC9H18N6S
Molecular Weight242.35 g/mol
Exact Mass242.13
IUPAC Name5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCN1CCN(C)C(CNc2nc(N)ns2)C1
InChIInChI=1S/C9H18N6S/c1-14-3-4-15(2)7(6-14)5-11-9-12-8(10)13-16-9/h7H,3-6H2,1-2H3,(H3,10,11,12,13)
InChIKeyRRLXWYQMNSQRAA-UHFFFAOYSA-N
XLogP-0.22
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine (CID 66278571) is 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine is CN1CCN(C)C(CNc2nc(N)ns2)C1.
What is the InChIKey of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is RRLXWYQMNSQRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6S/c1-14-3-4-15(2)7(6-14)5-11-9-12-8(10)13-16-9/h7H,3-6H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 242.35 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).