4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride

C18H20Cl3N3OS — CID 120757715

IUPAC4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride
SMILESCl.Cl.Clc1ccccc1C1CNCCN1Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C18H18ClN3OS.2ClH/c19-16-4-2-1-3-15(16)17-9-20-6-7-22(17)10-14-12-24-18(21-14)13-5-8-23-11-13;;/h1-5,8,11-12,17,20H,6-7,9-10H2;2*1H
InChIKeyWOBVIJKBCCJHNL-UHFFFAOYSA-N
MW432.80 g/mol
LogP5.05
Rot. Bonds4

About 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride

4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride (PubChem CID 120757715) has the molecular formula C18H20Cl3N3OS and a molecular weight of 432.80 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride
PubChem CID120757715
Molecular FormulaC18H20Cl3N3OS
Molecular Weight432.80 g/mol
Exact Mass431.04
IUPAC Name4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride
SMILESCl.Cl.Clc1ccccc1C1CNCCN1Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C18H18ClN3OS.2ClH/c19-16-4-2-1-3-15(16)17-9-20-6-7-22(17)10-14-12-24-18(21-14)13-5-8-23-11-13;;/h1-5,8,11-12,17,20H,6-7,9-10H2;2*1H
InChIKeyWOBVIJKBCCJHNL-UHFFFAOYSA-N
XLogP5.05
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.80
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride with MolForge

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Related Compounds

4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride
CID 120768875
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 120768960
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 120757352
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120757781
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 120753181
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
CID 120757443
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
5-benzyl-3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120757437
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride
CID 120768801

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride?
The IUPAC name of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride (CID 120757715) is 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride?
The canonical SMILES for 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride is Cl.Cl.Clc1ccccc1C1CNCCN1Cc1csc(-c2ccoc2)n1.
What is the InChIKey of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride?
The InChIKey is WOBVIJKBCCJHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS.2ClH/c19-16-4-2-1-3-15(16)17-9-20-6-7-22(17)10-14-12-24-18(21-14)13-5-8-23-11-13;;/h1-5,8,11-12,17,20H,6-7,9-10H2;2*1H.
What are the key properties of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride?
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride has a molecular weight of 432.80 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 120757715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).