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

C9H17N5S — CID 82058210

IUPAC5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCN1CCN(CCc2nnc(N)s2)CC1
InChIInChI=1S/C9H17N5S/c1-13-4-6-14(7-5-13)3-2-8-11-12-9(10)15-8/h2-7H2,1H3,(H2,10,12)
InChIKeyGZEQOOTUIVTTRV-UHFFFAOYSA-N
MW227.34 g/mol
LogP-0.09
Rot. Bonds3

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

5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 82058210) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is 5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID82058210
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCN1CCN(CCc2nnc(N)s2)CC1
InChIInChI=1S/C9H17N5S/c1-13-4-6-14(7-5-13)3-2-8-11-12-9(10)15-8/h2-7H2,1H3,(H2,10,12)
InChIKeyGZEQOOTUIVTTRV-UHFFFAOYSA-N
XLogP-0.09
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 82058210) is 5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is CN1CCN(CCc2nnc(N)s2)CC1.
What is the InChIKey of 5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GZEQOOTUIVTTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c1-13-4-6-14(7-5-13)3-2-8-11-12-9(10)15-8/h2-7H2,1H3,(H2,10,12).
What are the key properties of 5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 227.34 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82058210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).