4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine

C8H15N5S — CID 130599835

IUPAC4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine
SMILESCN1CCN(NCc2cnns2)CC1
InChIInChI=1S/C8H15N5S/c1-12-2-4-13(5-3-12)10-7-8-6-9-11-14-8/h6,10H,2-5,7H2,1H3
InChIKeyGQCUERQLQCWFRU-UHFFFAOYSA-N
MW213.31 g/mol
LogP-0.21
Rot. Bonds3

About 4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine

4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine (PubChem CID 130599835) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine
PubChem CID130599835
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine
SMILESCN1CCN(NCc2cnns2)CC1
InChIInChI=1S/C8H15N5S/c1-12-2-4-13(5-3-12)10-7-8-6-9-11-14-8/h6,10H,2-5,7H2,1H3
InChIKeyGQCUERQLQCWFRU-UHFFFAOYSA-N
XLogP-0.21
TPSA44.29 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 ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine?
The IUPAC name of 4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine (CID 130599835) is 4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine?
The canonical SMILES for 4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine is CN1CCN(NCc2cnns2)CC1.
What is the InChIKey of 4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine?
The InChIKey is GQCUERQLQCWFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-12-2-4-13(5-3-12)10-7-8-6-9-11-14-8/h6,10H,2-5,7H2,1H3.
What are the key properties of 4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine?
4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine has a molecular weight of 213.31 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine is sourced from PubChem (CID 130599835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).