2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride

C20H22ClN5OS — CID 120912503

IUPAC2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C20H21N5OS.ClH/c1-24-10-9-22-19(24)16-12-21-8-11-25(16)13-14-6-7-17(26-14)20-23-15-4-2-3-5-18(15)27-20;/h2-7,9-10,16,21H,8,11-13H2,1H3;1H
InChIKeyGCHGABNTBIHRCJ-UHFFFAOYSA-N
MW415.95 g/mol
LogP3.86
Rot. Bonds4

About 2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride

2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride (PubChem CID 120912503) has the molecular formula C20H22ClN5OS and a molecular weight of 415.95 g/mol. Its IUPAC name is 2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride
PubChem CID120912503
Molecular FormulaC20H22ClN5OS
Molecular Weight415.95 g/mol
Exact Mass415.12
IUPAC Name2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C20H21N5OS.ClH/c1-24-10-9-22-19(24)16-12-21-8-11-25(16)13-14-6-7-17(26-14)20-23-15-4-2-3-5-18(15)27-20;/h2-7,9-10,16,21H,8,11-13H2,1H3;1H
InChIKeyGCHGABNTBIHRCJ-UHFFFAOYSA-N
XLogP3.86
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride with MolForge

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Related Compounds

1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911751
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120878469
2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride
CID 120870071
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911954
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
3-(4-fluorophenyl)-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 120870512
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride
CID 120871220
2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120912333
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride?
The IUPAC name of 2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride (CID 120912503) is 2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride?
The InChIKey is GCHGABNTBIHRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS.ClH/c1-24-10-9-22-19(24)16-12-21-8-11-25(16)13-14-6-7-17(26-14)20-23-15-4-2-3-5-18(15)27-20;/h2-7,9-10,16,21H,8,11-13H2,1H3;1H.
What are the key properties of 2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride?
2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride has a molecular weight of 415.95 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 120912503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).