2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole

C17H23N3S — CID 71102532

IUPAC2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole
SMILESCc1ccc(C)c(CN2CCN(c3nc(C)cs3)CC2)c1
InChIInChI=1S/C17H23N3S/c1-13-4-5-14(2)16(10-13)11-19-6-8-20(9-7-19)17-18-15(3)12-21-17/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyUWRUKMCFWUWGPF-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.39
Rot. Bonds3

About 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole

2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole (PubChem CID 71102532) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole
PubChem CID71102532
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole
SMILESCc1ccc(C)c(CN2CCN(c3nc(C)cs3)CC2)c1
InChIInChI=1S/C17H23N3S/c1-13-4-5-14(2)16(10-13)11-19-6-8-20(9-7-19)17-18-15(3)12-21-17/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyUWRUKMCFWUWGPF-UHFFFAOYSA-N
XLogP3.39
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole (CID 71102532) is 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole is Cc1ccc(C)c(CN2CCN(c3nc(C)cs3)CC2)c1.
What is the InChIKey of 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole?
The InChIKey is UWRUKMCFWUWGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13-4-5-14(2)16(10-13)11-19-6-8-20(9-7-19)17-18-15(3)12-21-17/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole?
2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 71102532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).