2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine

C9H16N4S — CID 82278115

IUPAC2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(N2CCNCC2)n1
InChIInChI=1S/C9H16N4S/c10-2-1-8-7-14-9(12-8)13-5-3-11-4-6-13/h7,11H,1-6,10H2
InChIKeyHCMZSBMGIYGBKS-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.05
Rot. Bonds3

About 2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine

2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine (PubChem CID 82278115) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine
PubChem CID82278115
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(N2CCNCC2)n1
InChIInChI=1S/C9H16N4S/c10-2-1-8-7-14-9(12-8)13-5-3-11-4-6-13/h7,11H,1-6,10H2
InChIKeyHCMZSBMGIYGBKS-UHFFFAOYSA-N
XLogP0.05
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine (CID 82278115) is 2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine is NCCc1csc(N2CCNCC2)n1.
What is the InChIKey of 2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is HCMZSBMGIYGBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c10-2-1-8-7-14-9(12-8)13-5-3-11-4-6-13/h7,11H,1-6,10H2.
What are the key properties of 2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine?
2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 212.32 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 82278115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).