5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole

C16H25N5S — CID 120911862

IUPAC5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1ncc(CN2CCNCC2c2nccn2C)s1
InChIInChI=1S/C16H25N5S/c1-12(2)8-15-19-9-13(22-15)11-21-7-4-17-10-14(21)16-18-5-6-20(16)3/h5-6,9,12,14,17H,4,7-8,10-11H2,1-3H3
InChIKeyYAXOXLGMRBMANQ-UHFFFAOYSA-N
MW319.48 g/mol
LogP2.22
Rot. Bonds5

About 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole

5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole (PubChem CID 120911862) has the molecular formula C16H25N5S and a molecular weight of 319.48 g/mol. Its IUPAC name is 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole
PubChem CID120911862
Molecular FormulaC16H25N5S
Molecular Weight319.48 g/mol
Exact Mass319.18
IUPAC Name5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1ncc(CN2CCNCC2c2nccn2C)s1
InChIInChI=1S/C16H25N5S/c1-12(2)8-15-19-9-13(22-15)11-21-7-4-17-10-14(21)16-18-5-6-20(16)3/h5-6,9,12,14,17H,4,7-8,10-11H2,1-3H3
InChIKeyYAXOXLGMRBMANQ-UHFFFAOYSA-N
XLogP2.22
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine
CID 120912226
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642
2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine
CID 120869704
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839
1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912331
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 120870637
1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911954
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride
CID 120911881
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole (CID 120911862) is 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1ncc(CN2CCNCC2c2nccn2C)s1.
What is the InChIKey of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is YAXOXLGMRBMANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5S/c1-12(2)8-15-19-9-13(22-15)11-21-7-4-17-10-14(21)16-18-5-6-20(16)3/h5-6,9,12,14,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole?
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole has a molecular weight of 319.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 120911862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).