4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride

C14H20Cl3N3OS — CID 154832946

IUPAC4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride
SMILESCl.Cl.Cl.c1nc(COc2ccc(N3CCNCC3)cc2)cs1
InChIInChI=1S/C14H17N3OS.3ClH/c1-3-14(18-9-12-10-19-11-16-12)4-2-13(1)17-7-5-15-6-8-17;;;/h1-4,10-11,15H,5-9H2;3*1H
InChIKeyUIFCSUIYFYLVPM-UHFFFAOYSA-N
MW384.76 g/mol
LogP3.40
Rot. Bonds4

About 4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride

4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride (PubChem CID 154832946) has the molecular formula C14H20Cl3N3OS and a molecular weight of 384.76 g/mol. Its IUPAC name is 4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride.

Molecular Properties

Compound Name4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride
PubChem CID154832946
Molecular FormulaC14H20Cl3N3OS
Molecular Weight384.76 g/mol
Exact Mass383.04
IUPAC Name4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride
SMILESCl.Cl.Cl.c1nc(COc2ccc(N3CCNCC3)cc2)cs1
InChIInChI=1S/C14H17N3OS.3ClH/c1-3-14(18-9-12-10-19-11-16-12)4-2-13(1)17-7-5-15-6-8-17;;;/h1-4,10-11,15H,5-9H2;3*1H
InChIKeyUIFCSUIYFYLVPM-UHFFFAOYSA-N
XLogP3.40
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride?
The IUPAC name of 4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride (CID 154832946) is 4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride.
What is the SMILES notation for 4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride?
The canonical SMILES for 4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride is Cl.Cl.Cl.c1nc(COc2ccc(N3CCNCC3)cc2)cs1.
What is the InChIKey of 4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride?
The InChIKey is UIFCSUIYFYLVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.3ClH/c1-3-14(18-9-12-10-19-11-16-12)4-2-13(1)17-7-5-15-6-8-17;;;/h1-4,10-11,15H,5-9H2;3*1H.
What are the key properties of 4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride?
4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride has a molecular weight of 384.76 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole;trihydrochloride is sourced from PubChem (CID 154832946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).