2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide

C12H23BrN4S — CID 44593264

IUPAC2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN)s2)CC1
InChIInChI=1S/C12H22N4S.BrH/c1-2-5-15-6-8-16(9-7-15)12-14-10-11(17-12)3-4-13;/h10H,2-9,13H2,1H3;1H
InChIKeyPPLHCFOSONAUJK-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.75
Rot. Bonds5

About 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide

2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide (PubChem CID 44593264) has the molecular formula C12H23BrN4S and a molecular weight of 335.32 g/mol. Its IUPAC name is 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide.

Molecular Properties

Compound Name2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
PubChem CID44593264
Molecular FormulaC12H23BrN4S
Molecular Weight335.32 g/mol
Exact Mass334.08
IUPAC Name2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN)s2)CC1
InChIInChI=1S/C12H22N4S.BrH/c1-2-5-15-6-8-16(9-7-15)12-14-10-11(17-12)3-4-13;/h10H,2-9,13H2,1H3;1H
InChIKeyPPLHCFOSONAUJK-UHFFFAOYSA-N
XLogP1.75
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
The IUPAC name of 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide (CID 44593264) is 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide.
What is the SMILES notation for 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
The canonical SMILES for 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide is Br.CCCN1CCN(c2ncc(CCN)s2)CC1.
What is the InChIKey of 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
The InChIKey is PPLHCFOSONAUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S.BrH/c1-2-5-15-6-8-16(9-7-15)12-14-10-11(17-12)3-4-13;/h10H,2-9,13H2,1H3;1H.
What are the key properties of 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide has a molecular weight of 335.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide is sourced from PubChem (CID 44593264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).