5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole

C17H23N3S — CID 154829009

IUPAC5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C17H23N3S/c1-14-17(21-15(2)18-14)13-20-10-8-19(9-11-20)12-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3
InChIKeyTVFFFNBQBUDGEL-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.08
Rot. Bonds4

About 5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole

5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 154829009) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID154829009
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C17H23N3S/c1-14-17(21-15(2)18-14)13-20-10-8-19(9-11-20)12-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3
InChIKeyTVFFFNBQBUDGEL-UHFFFAOYSA-N
XLogP3.08
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 155942124
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 119148060
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline
CID 71865507
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 70780037
5-[(4-cyclobutylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 155980200
3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole
CID 154580617
1-(1-benzylpiperidin-4-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine
CID 111759389
1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 71978470
2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 154885612
2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 139027048
2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 155975428

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole (CID 154829009) is 5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(CN2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of 5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is TVFFFNBQBUDGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-14-17(21-15(2)18-14)13-20-10-8-19(9-11-20)12-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3.
What are the key properties of 5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole?
5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 154829009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).