2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide

C22H23N3O4S — CID 117093194

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(N3CCc4ccccc4C3)s2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4S/c1-27-17-10-16(11-18(28-2)20(17)29-3)24-21(26)19-12-23-22(30-19)25-9-8-14-6-4-5-7-15(14)13-25/h4-7,10-12H,8-9,13H2,1-3H3,(H,24,26)
InChIKeyFKJUEUGVIWBBKN-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.98
Rot. Bonds6

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 117093194) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID117093194
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(N3CCc4ccccc4C3)s2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4S/c1-27-17-10-16(11-18(28-2)20(17)29-3)24-21(26)19-12-23-22(30-19)25-9-8-14-6-4-5-7-15(14)13-25/h4-7,10-12H,8-9,13H2,1-3H3,(H,24,26)
InChIKeyFKJUEUGVIWBBKN-UHFFFAOYSA-N
XLogP3.98
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-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

methyl 2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazole-5-carboxylate
CID 80572955
2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117093519
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112861254
N-(1H-benzimidazol-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole-5-carboxamide
CID 117088378
2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117086063
N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3,4,5-trimethoxybenzamide
CID 16889165
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109259793
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028102
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide
CID 155620473
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593
N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7913721
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (CID 117093194) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is COc1cc(NC(=O)c2cnc(N3CCc4ccccc4C3)s2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is FKJUEUGVIWBBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-27-17-10-16(11-18(28-2)20(17)29-3)24-21(26)19-12-23-22(30-19)25-9-8-14-6-4-5-7-15(14)13-25/h4-7,10-12H,8-9,13H2,1-3H3,(H,24,26).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117093194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).