5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole

C20H24N4S — CID 70766458

IUPAC5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(c2nccn2Cc2ccccc2)C1
InChIInChI=1S/C20H24N4S/c1-16-19(25-15-22-16)14-23-10-5-8-18(13-23)20-21-9-11-24(20)12-17-6-3-2-4-7-17/h2-4,6-7,9,11,15,18H,5,8,10,12-14H2,1H3
InChIKeyQOKPEIZQQAGTGG-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.08
Rot. Bonds5

About 5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole

5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 70766458) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is 5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID70766458
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(c2nccn2Cc2ccccc2)C1
InChIInChI=1S/C20H24N4S/c1-16-19(25-15-22-16)14-23-10-5-8-18(13-23)20-21-9-11-24(20)12-17-6-3-2-4-7-17/h2-4,6-7,9,11,15,18H,5,8,10,12-14H2,1H3
InChIKeyQOKPEIZQQAGTGG-UHFFFAOYSA-N
XLogP4.08
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole
CID 96579700
4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 70734472
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine
CID 96571031
1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 95714959
4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 131934362
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 96572365
3-[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579021
3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579022
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70767461
4-methyl-5-[[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72844706
4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
CID 70723430
3-[[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 72939598

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (CID 70766458) is 5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CCCC(c2nccn2Cc2ccccc2)C1.
What is the InChIKey of 5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is QOKPEIZQQAGTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-16-19(25-15-22-16)14-23-10-5-8-18(13-23)20-21-9-11-24(20)12-17-6-3-2-4-7-17/h2-4,6-7,9,11,15,18H,5,8,10,12-14H2,1H3.
What are the key properties of 5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 352.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 70766458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).