2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole

C21H18N2OS — CID 68997752

IUPAC2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole
SMILESCN1Cc2cc(-c3nccs3)ccc2C(c2cc3ccccc3o2)C1
InChIInChI=1S/C21H18N2OS/c1-23-12-16-10-15(21-22-8-9-25-21)6-7-17(16)18(13-23)20-11-14-4-2-3-5-19(14)24-20/h2-11,18H,12-13H2,1H3
InChIKeyMAMAVZLKMBBZBA-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.13
Rot. Bonds2

About 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole

2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole (PubChem CID 68997752) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole
PubChem CID68997752
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole
SMILESCN1Cc2cc(-c3nccs3)ccc2C(c2cc3ccccc3o2)C1
InChIInChI=1S/C21H18N2OS/c1-23-12-16-10-15(21-22-8-9-25-21)6-7-17(16)18(13-23)20-11-14-4-2-3-5-19(14)24-20/h2-11,18H,12-13H2,1H3
InChIKeyMAMAVZLKMBBZBA-UHFFFAOYSA-N
XLogP5.13
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-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-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
CID 68998969
2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine
CID 69049788
4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68998758
4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68997108
4-(1-benzofuran-2-yl)-8-fluoro-2-methyl-7-pyridazin-4-yl-3,4-dihydro-1H-isoquinoline
CID 69001523
3-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]cinnoline
CID 68996449
4-(1-benzothiophen-2-yl)-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 11602891
2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995347
4-(1-benzothiophen-5-yl)-2-methyl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68997137
4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68995649
2-methyl-4-(1-methylindol-2-yl)-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68997686
4-(1H-indol-6-yl)-2-methyl-7-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 68998656

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole (CID 68997752) is 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole is CN1Cc2cc(-c3nccs3)ccc2C(c2cc3ccccc3o2)C1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole?
The InChIKey is MAMAVZLKMBBZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-23-12-16-10-15(21-22-8-9-25-21)6-7-17(16)18(13-23)20-11-14-4-2-3-5-19(14)24-20/h2-11,18H,12-13H2,1H3.
What are the key properties of 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole?
2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole has a molecular weight of 346.46 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole is sourced from PubChem (CID 68997752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).