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

C17H23N3O2S — CID 18707228

IUPAC2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(CN3CCN(C)CC3)cs2)cc1OC
InChIInChI=1S/C17H23N3O2S/c1-19-6-8-20(9-7-19)11-14-12-23-17(18-14)13-4-5-15(21-2)16(10-13)22-3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyGNWHRIAQXWXXSV-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.57
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 18707228) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID18707228
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(CN3CCN(C)CC3)cs2)cc1OC
InChIInChI=1S/C17H23N3O2S/c1-19-6-8-20(9-7-19)11-14-12-23-17(18-14)13-4-5-15(21-2)16(10-13)22-3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyGNWHRIAQXWXXSV-UHFFFAOYSA-N
XLogP2.57
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine
CID 170775558
2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 142201325
2-(4-ethoxy-3-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 31872902
3-(3,4-dimethoxyphenyl)-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55505939
[1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 16605901
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
2-[[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 30725962
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 25225119
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 46807153
(3,4-dimethoxyphenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30463113
(3,4-dimethoxyphenyl)-[4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 55543399
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 42915613

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole (CID 18707228) is 2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole is COc1ccc(-c2nc(CN3CCN(C)CC3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is GNWHRIAQXWXXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-19-6-8-20(9-7-19)11-14-12-23-17(18-14)13-4-5-15(21-2)16(10-13)22-3/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole?
2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 333.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 18707228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).