4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride

C18H23Cl3N4S — CID 120968361

IUPAC4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCl.Clc1ccc(Cl)c(-c2csc(CN3CCC(N4CCNCC4)C3)n2)c1
InChIInChI=1S/C18H22Cl2N4S.ClH/c19-13-1-2-16(20)15(9-13)17-12-25-18(22-17)11-23-6-3-14(10-23)24-7-4-21-5-8-24;/h1-2,9,12,14,21H,3-8,10-11H2;1H
InChIKeyAQFREOYIBVXOOS-UHFFFAOYSA-N
MW433.84 g/mol
LogP4.02
Rot. Bonds4

About 4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride

4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride (PubChem CID 120968361) has the molecular formula C18H23Cl3N4S and a molecular weight of 433.84 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
PubChem CID120968361
Molecular FormulaC18H23Cl3N4S
Molecular Weight433.84 g/mol
Exact Mass432.07
IUPAC Name4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCl.Clc1ccc(Cl)c(-c2csc(CN3CCC(N4CCNCC4)C3)n2)c1
InChIInChI=1S/C18H22Cl2N4S.ClH/c19-13-1-2-16(20)15(9-13)17-12-25-18(22-17)11-23-6-3-14(10-23)24-7-4-21-5-8-24;/h1-2,9,12,14,21H,3-8,10-11H2;1H
InChIKeyAQFREOYIBVXOOS-UHFFFAOYSA-N
XLogP4.02
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.84
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride with MolForge

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Related Compounds

2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride
CID 120907328
4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967611
1-[1-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolidin-3-yl]piperazine
CID 120968202
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 74241415
4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole
CID 120968486
2-(4-methylphenyl)-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 120968224
6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120968147
4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566839
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968440
2-(1,3-benzodioxol-5-yl)-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 120968502
1-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968141

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride (CID 120968361) is 4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride is Cl.Clc1ccc(Cl)c(-c2csc(CN3CCC(N4CCNCC4)C3)n2)c1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The InChIKey is AQFREOYIBVXOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4S.ClH/c19-13-1-2-16(20)15(9-13)17-12-25-18(22-17)11-23-6-3-14(10-23)24-7-4-21-5-8-24;/h1-2,9,12,14,21H,3-8,10-11H2;1H.
What are the key properties of 4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride has a molecular weight of 433.84 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120968361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).