2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole

C20H25N5O2S — CID 120870607

IUPAC2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cccc(-c2nc(CN3CCNCC3c3nccn3C)cs2)c1OC
InChIInChI=1S/C20H25N5O2S/c1-24-9-8-22-19(24)16-11-21-7-10-25(16)12-14-13-28-20(23-14)15-5-4-6-17(26-2)18(15)27-3/h4-6,8-9,13,16,21H,7,10-12H2,1-3H3
InChIKeyXYSVZLWQQYLDHR-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.71
Rot. Bonds6

About 2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole

2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 120870607) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID120870607
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cccc(-c2nc(CN3CCNCC3c3nccn3C)cs2)c1OC
InChIInChI=1S/C20H25N5O2S/c1-24-9-8-22-19(24)16-11-21-7-10-25(16)12-14-13-28-20(23-14)15-5-4-6-17(26-2)18(15)27-3/h4-6,8-9,13,16,21H,7,10-12H2,1-3H3
InChIKeyXYSVZLWQQYLDHR-UHFFFAOYSA-N
XLogP2.71
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912331
2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120870745
2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120754903
2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride
CID 120871062
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 120870038
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
1-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870133
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 120870607) is 2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is COc1cccc(-c2nc(CN3CCNCC3c3nccn3C)cs2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is XYSVZLWQQYLDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-24-9-8-22-19(24)16-11-21-7-10-25(16)12-14-13-28-20(23-14)15-5-4-6-17(26-2)18(15)27-3/h4-6,8-9,13,16,21H,7,10-12H2,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 399.52 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 120870607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).