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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Related Compounds

ethyl 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 3011135
N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine
CID 86791560
2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine
CID 86959684
2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole
CID 47543592
3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 47542833
2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]ethanethioamide
CID 63335952
1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 791479
1-[(2,5-dimethylphenyl)methyl]-4-methyl-1,4-diazepan-5-one
CID 42275697
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
2-[4-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole
CID 47542412
4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 50952783

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).