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

C9H16N4S — CID 24709403

IUPAC2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C9H16N4S/c10-1-3-12-4-6-13(7-5-12)9-11-2-8-14-9/h2,8H,1,3-7,10H2
InChIKeyKEUZRISCOUQODX-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.22
Rot. Bonds3

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

2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine (PubChem CID 24709403) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
PubChem CID24709403
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C9H16N4S/c10-1-3-12-4-6-13(7-5-12)9-11-2-8-14-9/h2,8H,1,3-7,10H2
InChIKeyKEUZRISCOUQODX-UHFFFAOYSA-N
XLogP0.22
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine (CID 24709403) is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine is NCCN1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine?
The InChIKey is KEUZRISCOUQODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c10-1-3-12-4-6-13(7-5-12)9-11-2-8-14-9/h2,8H,1,3-7,10H2.
What are the key properties of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine?
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine has a molecular weight of 212.32 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 24709403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).