4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole

C16H24N4S — CID 90494064

IUPAC4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCCc1nccn1CC1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C16H24N4S/c1-3-16-17-6-9-20(16)10-14-4-7-19(8-5-14)11-15-12-21-13(2)18-15/h6,9,12,14H,3-5,7-8,10-11H2,1-2H3
InChIKeyZVKJDIVKQFLGPH-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.12
Rot. Bonds5

About 4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 90494064) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID90494064
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCCc1nccn1CC1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C16H24N4S/c1-3-16-17-6-9-20(16)10-14-4-7-19(8-5-14)11-15-12-21-13(2)18-15/h6,9,12,14H,3-5,7-8,10-11H2,1-2H3
InChIKeyZVKJDIVKQFLGPH-UHFFFAOYSA-N
XLogP3.12
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine
CID 90494036
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
2-methyl-4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72924212
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 125007588
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55258935
6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 155974593
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111117688
N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-amine
CID 106566105

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 90494064) is 4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole is CCc1nccn1CC1CCN(Cc2csc(C)n2)CC1.
What is the InChIKey of 4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is ZVKJDIVKQFLGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-3-16-17-6-9-20(16)10-14-4-7-19(8-5-14)11-15-12-21-13(2)18-15/h6,9,12,14H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 304.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 90494064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).