6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride

C17H25ClN4OS — CID 120968147

IUPAC6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
SMILESCOc1ccc2nc(CN3CCC(N4CCNCC4)C3)sc2c1.Cl
InChIInChI=1S/C17H24N4OS.ClH/c1-22-14-2-3-15-16(10-14)23-17(19-15)12-20-7-4-13(11-20)21-8-5-18-6-9-21;/h2-3,10,13,18H,4-9,11-12H2,1H3;1H
InChIKeyZZAGVMGIZRIRBL-UHFFFAOYSA-N
MW368.93 g/mol
LogP2.21
Rot. Bonds4

About 6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride

6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride (PubChem CID 120968147) has the molecular formula C17H25ClN4OS and a molecular weight of 368.93 g/mol. Its IUPAC name is 6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
PubChem CID120968147
Molecular FormulaC17H25ClN4OS
Molecular Weight368.93 g/mol
Exact Mass368.14
IUPAC Name6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
SMILESCOc1ccc2nc(CN3CCC(N4CCNCC4)C3)sc2c1.Cl
InChIInChI=1S/C17H24N4OS.ClH/c1-22-14-2-3-15-16(10-14)23-17(19-15)12-20-7-4-13(11-20)21-8-5-18-6-9-21;/h2-3,10,13,18H,4-9,11-12H2,1H3;1H
InChIKeyZZAGVMGIZRIRBL-UHFFFAOYSA-N
XLogP2.21
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120834481
6-methoxy-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120834995
6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole
CID 164640107
(3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine
CID 120845980
1-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968141
6-ethoxy-2-(piperazin-1-ylmethyl)-1,3-benzothiazole
CID 79518989
N-ethyl-2,2,2-trifluoro-N-[[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 126778728
[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 120841920
4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967611
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
6-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 79511727
1-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967858

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride?
The IUPAC name of 6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride (CID 120968147) is 6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride is COc1ccc2nc(CN3CCC(N4CCNCC4)C3)sc2c1.Cl.
What is the InChIKey of 6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride?
The InChIKey is ZZAGVMGIZRIRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS.ClH/c1-22-14-2-3-15-16(10-14)23-17(19-15)12-20-7-4-13(11-20)21-8-5-18-6-9-21;/h2-3,10,13,18H,4-9,11-12H2,1H3;1H.
What are the key properties of 6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride?
6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride has a molecular weight of 368.93 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 120968147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).