2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole

C18H20N4S — CID 131668840

IUPAC2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(Cn2ccnc2C2CN(C)Cc3ccccc32)cs1
InChIInChI=1S/C18H20N4S/c1-13-20-15(12-23-13)10-22-8-7-19-18(22)17-11-21(2)9-14-5-3-4-6-16(14)17/h3-8,12,17H,9-11H2,1-2H3
InChIKeyYFRKEUYTBJHQEO-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.27
Rot. Bonds3

About 2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 131668840) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID131668840
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(Cn2ccnc2C2CN(C)Cc3ccccc32)cs1
InChIInChI=1S/C18H20N4S/c1-13-20-15(12-23-13)10-22-8-7-19-18(22)17-11-21(2)9-14-5-3-4-6-16(14)17/h3-8,12,17H,9-11H2,1-2H3
InChIKeyYFRKEUYTBJHQEO-UHFFFAOYSA-N
XLogP3.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-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

4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 70734472
2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole
CID 131668827
N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-amine
CID 106566105
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-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382
1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 131668819
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
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
7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,3-benzothiazole
CID 11687769
4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
CID 4990953
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 141136037

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole (CID 131668840) is 2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole is Cc1nc(Cn2ccnc2C2CN(C)Cc3ccccc32)cs1.
What is the InChIKey of 2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is YFRKEUYTBJHQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-13-20-15(12-23-13)10-22-8-7-19-18(22)17-11-21(2)9-14-5-3-4-6-16(14)17/h3-8,12,17H,9-11H2,1-2H3.
What are the key properties of 2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 324.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 131668840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).