[5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate

C21H26N4O3S — CID 3486013

IUPAC[5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(CN2CCC(c3nccn3Cc3csc(C)n3)CC2)o1
InChIInChI=1S/C21H26N4O3S/c1-15-23-18(14-29-15)11-25-10-7-22-21(25)17-5-8-24(9-6-17)12-19-3-4-20(28-19)13-27-16(2)26/h3-4,7,10,14,17H,5-6,8-9,11-13H2,1-2H3
InChIKeyMXYOAQCNAIRMLY-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.73
Rot. Bonds7

About [5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate

[5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate (PubChem CID 3486013) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is [5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate
PubChem CID3486013
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name[5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(CN2CCC(c3nccn3Cc3csc(C)n3)CC2)o1
InChIInChI=1S/C21H26N4O3S/c1-15-23-18(14-29-15)11-25-10-7-22-21(25)17-5-8-24(9-6-17)12-19-3-4-20(28-19)13-27-16(2)26/h3-4,7,10,14,17H,5-6,8-9,11-13H2,1-2H3
InChIKeyMXYOAQCNAIRMLY-UHFFFAOYSA-N
XLogP3.73
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate
CID 3422469
1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-5-thiophen-2-ylpentane-1,5-dione
CID 3600952
3-(3-methylindol-1-yl)-1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 3743308
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
4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 70734472
4-methyl-5-[[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72844706
4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
CID 4990953
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 90494064
2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 70787429
[5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72841956

Frequently Asked Questions

What is the IUPAC name of [5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate?
The IUPAC name of [5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate (CID 3486013) is [5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate.
What is the SMILES notation for [5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate?
The canonical SMILES for [5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate is CC(=O)OCc1ccc(CN2CCC(c3nccn3Cc3csc(C)n3)CC2)o1.
What is the InChIKey of [5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate?
The InChIKey is MXYOAQCNAIRMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-15-23-18(14-29-15)11-25-10-7-22-21(25)17-5-8-24(9-6-17)12-19-3-4-20(28-19)13-27-16(2)26/h3-4,7,10,14,17H,5-6,8-9,11-13H2,1-2H3.
What are the key properties of [5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate?
[5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate has a molecular weight of 414.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate is sourced from PubChem (CID 3486013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).