2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole

C17H23N3OS — CID 70740105

IUPAC2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccccc1N1CCN(c2nc(C)cs2)CC1(C)C
InChIInChI=1S/C17H23N3OS/c1-13-11-22-16(18-13)19-9-10-20(17(2,3)12-19)14-7-5-6-8-15(14)21-4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyBAIUDKLRDLCCBG-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.57
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole

2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole (PubChem CID 70740105) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole
PubChem CID70740105
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccccc1N1CCN(c2nc(C)cs2)CC1(C)C
InChIInChI=1S/C17H23N3OS/c1-13-11-22-16(18-13)19-9-10-20(17(2,3)12-19)14-7-5-6-8-15(14)21-4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyBAIUDKLRDLCCBG-UHFFFAOYSA-N
XLogP3.57
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
CID 72841234
2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole
CID 70780976
1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol
CID 72884550
4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole
CID 70809648
4-(2-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119129904
1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine
CID 70395500
2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole
CID 122269478
2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone
CID 172891774
[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 70709938
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133365976
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole (CID 70740105) is 2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole is COc1ccccc1N1CCN(c2nc(C)cs2)CC1(C)C.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole?
The InChIKey is BAIUDKLRDLCCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-13-11-22-16(18-13)19-9-10-20(17(2,3)12-19)14-7-5-6-8-15(14)21-4/h5-8,11H,9-10,12H2,1-4H3.
What are the key properties of 2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole?
2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole has a molecular weight of 317.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 70740105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).