5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride

C19H20Cl2N4S — CID 120768801

IUPAC5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCN1Cc1cnc(-c2ccccn2)s1
InChIInChI=1S/C19H19ClN4S.ClH/c20-16-6-2-1-5-15(16)18-12-21-9-10-24(18)13-14-11-23-19(25-14)17-7-3-4-8-22-17;/h1-8,11,18,21H,9-10,12-13H2;1H
InChIKeyACJKKYIRZWDAIJ-UHFFFAOYSA-N
MW407.37 g/mol
LogP4.43
Rot. Bonds4

About 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride

5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride (PubChem CID 120768801) has the molecular formula C19H20Cl2N4S and a molecular weight of 407.37 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride
PubChem CID120768801
Molecular FormulaC19H20Cl2N4S
Molecular Weight407.37 g/mol
Exact Mass406.08
IUPAC Name5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCN1Cc1cnc(-c2ccccn2)s1
InChIInChI=1S/C19H19ClN4S.ClH/c20-16-6-2-1-5-15(16)18-12-21-9-10-24(18)13-14-11-23-19(25-14)17-7-3-4-8-22-17;/h1-8,11,18,21H,9-10,12-13H2;1H
InChIKeyACJKKYIRZWDAIJ-UHFFFAOYSA-N
XLogP4.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride
CID 120757775
1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120768777
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride
CID 120757715
2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120768945
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 120739504
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 120767400
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120757781

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride (CID 120768801) is 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride is Cl.Clc1ccccc1C1CNCCN1Cc1cnc(-c2ccccn2)s1.
What is the InChIKey of 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride?
The InChIKey is ACJKKYIRZWDAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4S.ClH/c20-16-6-2-1-5-15(16)18-12-21-9-10-24(18)13-14-11-23-19(25-14)17-7-3-4-8-22-17;/h1-8,11,18,21H,9-10,12-13H2;1H.
What are the key properties of 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride?
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride has a molecular weight of 407.37 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120768801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).