5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine

C9H16N4S — CID 137358353

IUPAC5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine
SMILESCCN1CCN(c2cnc(N)s2)CC1
InChIInChI=1S/C9H16N4S/c1-2-12-3-5-13(6-4-12)8-7-11-9(10)14-8/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyTXYLORKKMDYAJJ-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.87
Rot. Bonds2

About 5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine

5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine (PubChem CID 137358353) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine
PubChem CID137358353
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine
SMILESCCN1CCN(c2cnc(N)s2)CC1
InChIInChI=1S/C9H16N4S/c1-2-12-3-5-13(6-4-12)8-7-11-9(10)14-8/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyTXYLORKKMDYAJJ-UHFFFAOYSA-N
XLogP0.87
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine (CID 137358353) is 5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine is CCN1CCN(c2cnc(N)s2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine?
The InChIKey is TXYLORKKMDYAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-12-3-5-13(6-4-12)8-7-11-9(10)14-8/h7H,2-6H2,1H3,(H2,10,11).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine?
5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 137358353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).