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

C18H20Cl3N5S — CID 120757491

IUPAC4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.Clc1ccccc1C1CNCCN1Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C18H18ClN5S.2ClH/c19-15-5-2-1-4-14(15)16-10-20-8-9-24(16)11-13-12-25-18(23-13)17-21-6-3-7-22-17;;/h1-7,12,16,20H,8-11H2;2*1H
InChIKeyZMPYFSRLAVIJNA-UHFFFAOYSA-N
MW444.82 g/mol
LogP4.24
Rot. Bonds4

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

4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride (PubChem CID 120757491) has the molecular formula C18H20Cl3N5S and a molecular weight of 444.82 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
PubChem CID120757491
Molecular FormulaC18H20Cl3N5S
Molecular Weight444.82 g/mol
Exact Mass443.05
IUPAC Name4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.Clc1ccccc1C1CNCCN1Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C18H18ClN5S.2ClH/c19-15-5-2-1-4-14(15)16-10-20-8-9-24(16)11-13-12-25-18(23-13)17-21-6-3-7-22-17;;/h1-7,12,16,20H,8-11H2;2*1H
InChIKeyZMPYFSRLAVIJNA-UHFFFAOYSA-N
XLogP4.24
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride
CID 120757715
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride
CID 120768875
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
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
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride
CID 120768801
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
CID 120757443
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120757781
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride?
The IUPAC name of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride (CID 120757491) is 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride is Cl.Cl.Clc1ccccc1C1CNCCN1Cc1csc(-c2ncccn2)n1.
What is the InChIKey of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride?
The InChIKey is ZMPYFSRLAVIJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5S.2ClH/c19-15-5-2-1-4-14(15)16-10-20-8-9-24(16)11-13-12-25-18(23-13)17-21-6-3-7-22-17;;/h1-7,12,16,20H,8-11H2;2*1H.
What are the key properties of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride?
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride has a molecular weight of 444.82 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 120757491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).