N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide

C22H23N3O2S — CID 166718904

IUPACN-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc2c1CCN(Cc1ccc(CNC(=O)c3cncs3)cc1)C2
InChIInChI=1S/C22H23N3O2S/c1-27-20-4-2-3-18-14-25(10-9-19(18)20)13-17-7-5-16(6-8-17)11-24-22(26)21-12-23-15-28-21/h2-8,12,15H,9-11,13-14H2,1H3,(H,24,26)
InChIKeyKHZUIPHGQUEJSY-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.64
Rot. Bonds6

About N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide

N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 166718904) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID166718904
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc2c1CCN(Cc1ccc(CNC(=O)c3cncs3)cc1)C2
InChIInChI=1S/C22H23N3O2S/c1-27-20-4-2-3-18-14-25(10-9-19(18)20)13-17-7-5-16(6-8-17)11-24-22(26)21-12-23-15-28-21/h2-8,12,15H,9-11,13-14H2,1H3,(H,24,26)
InChIKeyKHZUIPHGQUEJSY-UHFFFAOYSA-N
XLogP3.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide 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

N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 145042994
[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine
CID 145042907
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide
CID 3038738
N-[[4-[(5-cyclobutyloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]prop-1-en-2-amine
CID 145043141
N-[(1S)-1-[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]-4-methyl-2-(2-oxopropyl)-1,3-thiazole-5-carboxamide
CID 148645897
tert-butyl N-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]carbamate
CID 110456851
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-chloro-2,4-dimethoxybenzamide
CID 102242040
N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide
CID 45179702
N-[[4-[(6-ethoxy-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]acetamide
CID 166719057
N-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 131900860
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900189

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 166718904) is N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide is COc1cccc2c1CCN(Cc1ccc(CNC(=O)c3cncs3)cc1)C2.
What is the InChIKey of N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KHZUIPHGQUEJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-27-20-4-2-3-18-14-25(10-9-19(18)20)13-17-7-5-16(6-8-17)11-24-22(26)21-12-23-15-28-21/h2-8,12,15H,9-11,13-14H2,1H3,(H,24,26).
What are the key properties of N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide?
N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166718904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).