(Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane

C15H22BrN5OS — CID 143349549

IUPAC(Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane
SMILESCC.On1cc(Br)s/c1=N\c1cccc(CN2CCNCC2)n1
InChIInChI=1S/C13H16BrN5OS.C2H6/c14-11-9-19(20)13(21-11)17-12-3-1-2-10(16-12)8-18-6-4-15-5-7-18;1-2/h1-3,9,15,20H,4-8H2;1-2H3/b17-13-;
InChIKeyAAXANNURVNQJPA-VSORCOHTSA-N
MW400.35 g/mol
LogP2.61
Rot. Bonds3

About (Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane

(Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane (PubChem CID 143349549) has the molecular formula C15H22BrN5OS and a molecular weight of 400.35 g/mol. Its IUPAC name is (Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane.

Molecular Properties

Compound Name(Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane
PubChem CID143349549
Molecular FormulaC15H22BrN5OS
Molecular Weight400.35 g/mol
Exact Mass399.07
IUPAC Name(Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane
SMILESCC.On1cc(Br)s/c1=N\c1cccc(CN2CCNCC2)n1
InChIInChI=1S/C13H16BrN5OS.C2H6/c14-11-9-19(20)13(21-11)17-12-3-1-2-10(16-12)8-18-6-4-15-5-7-18;1-2/h1-3,9,15,20H,4-8H2;1-2H3/b17-13-;
InChIKeyAAXANNURVNQJPA-VSORCOHTSA-N
XLogP2.61
TPSA65.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze (Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane with MolForge

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Related Compounds

1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
dibromocobalt;1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine
CID 154596524
5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 117255711
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate
CID 139137423
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
5-methyl-2-(piperazin-1-ylmethyl)imidazo[1,2-c]pyrimidine
CID 84694889
1-[[1-(2-bromo-6-fluorophenyl)triazol-4-yl]methyl]piperazine
CID 154771728
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 104975601

Frequently Asked Questions

What is the IUPAC name of (Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane?
The IUPAC name of (Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane (CID 143349549) is (Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane.
What is the SMILES notation for (Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane?
The canonical SMILES for (Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane is CC.On1cc(Br)s/c1=N\c1cccc(CN2CCNCC2)n1.
What is the InChIKey of (Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane?
The InChIKey is AAXANNURVNQJPA-VSORCOHTSA-N. The full InChI is InChI=1S/C13H16BrN5OS.C2H6/c14-11-9-19(20)13(21-11)17-12-3-1-2-10(16-12)8-18-6-4-15-5-7-18;1-2/h1-3,9,15,20H,4-8H2;1-2H3/b17-13-;.
What are the key properties of (Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane?
(Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane has a molecular weight of 400.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-bromo-3-hydroxy-N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-imine;ethane is sourced from PubChem (CID 143349549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).