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

C22H28N4O3S — CID 3676593

IUPAC2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cc(Cn2ccnc2C2CCN(Cc3nccs3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H28N4O3S/c1-27-18-12-16(13-19(28-2)21(18)29-3)14-26-10-6-24-22(26)17-4-8-25(9-5-17)15-20-23-7-11-30-20/h6-7,10-13,17H,4-5,8-9,14-15H2,1-3H3
InChIKeyACOAYFRXONESIZ-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.79
Rot. Bonds8

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

2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 3676593) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID3676593
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cc(Cn2ccnc2C2CCN(Cc3nccs3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H28N4O3S/c1-27-18-12-16(13-19(28-2)21(18)29-3)14-26-10-6-24-22(26)17-4-8-25(9-5-17)15-20-23-7-11-30-20/h6-7,10-13,17H,4-5,8-9,14-15H2,1-3H3
InChIKeyACOAYFRXONESIZ-UHFFFAOYSA-N
XLogP3.79
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole 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

2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 3719755
(2,2-dichloro-1-methylcyclopropyl)-[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3858871
4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 70727403
4-[2-oxo-2-[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]ethyl]-2H-phthalazin-1-one
CID 3858869
4-[2-oxo-2-[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one
CID 3859485
3-(3-methylindol-1-yl)-1-[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 3676591
3-(2,4-dimethoxypyrimidin-5-yl)-1-[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 3871927
N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386
4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine
CID 56982556
2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole
CID 131668827
1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 828691
4-methyl-5-[[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72844706

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 3676593) is 2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole is COc1cc(Cn2ccnc2C2CCN(Cc3nccs3)CC2)cc(OC)c1OC.
What is the InChIKey of 2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is ACOAYFRXONESIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-27-18-12-16(13-19(28-2)21(18)29-3)14-26-10-6-24-22(26)17-4-8-25(9-5-17)15-20-23-7-11-30-20/h6-7,10-13,17H,4-5,8-9,14-15H2,1-3H3.
What are the key properties of 2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 428.56 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 3676593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).