2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole

C27H26N6S — CID 138571470

IUPAC2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole
SMILESCc1cn(-c2ccc3c(c2)CN(c2ncc(Cc4cccc(-n5cccn5)c4)s2)CC3)c(C)n1
InChIInChI=1S/C27H26N6S/c1-19-17-32(20(2)30-19)24-8-7-22-9-12-31(18-23(22)15-24)27-28-16-26(34-27)14-21-5-3-6-25(13-21)33-11-4-10-29-33/h3-8,10-11,13,15-17H,9,12,14,18H2,1-2H3
InChIKeyNPZSYIWLVREPKA-UHFFFAOYSA-N
MW466.61 g/mol
LogP5.28
Rot. Bonds5

About 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole

2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole (PubChem CID 138571470) has the molecular formula C27H26N6S and a molecular weight of 466.61 g/mol. Its IUPAC name is 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole
PubChem CID138571470
Molecular FormulaC27H26N6S
Molecular Weight466.61 g/mol
Exact Mass466.19
IUPAC Name2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole
SMILESCc1cn(-c2ccc3c(c2)CN(c2ncc(Cc4cccc(-n5cccn5)c4)s2)CC3)c(C)n1
InChIInChI=1S/C27H26N6S/c1-19-17-32(20(2)30-19)24-8-7-22-9-12-31(18-23(22)15-24)27-28-16-26(34-27)14-21-5-3-6-25(13-21)33-11-4-10-29-33/h3-8,10-11,13,15-17H,9,12,14,18H2,1-2H3
InChIKeyNPZSYIWLVREPKA-UHFFFAOYSA-N
XLogP5.28
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.61
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[5,6-Dimethyl-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 46871716
7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 138571253
6-((2-Methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylthio)methyl)imidazo[2,1-b]thiazole
CID 54582525
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657806
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657807
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657808
4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 89657816
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
CID 155520838
N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 155525880
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
CID 155540955
US9096589, 8-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250345
N-(2',4'-difluoro-5-(5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-1-yl)-[1,1'-biphenyl]-3-yl) thiazol-2-amine
CID 117777650

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole (CID 138571470) is 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole is Cc1cn(-c2ccc3c(c2)CN(c2ncc(Cc4cccc(-n5cccn5)c4)s2)CC3)c(C)n1.
What is the InChIKey of 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
The InChIKey is NPZSYIWLVREPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6S/c1-19-17-32(20(2)30-19)24-8-7-22-9-12-31(18-23(22)15-24)27-28-16-26(34-27)14-21-5-3-6-25(13-21)33-11-4-10-29-33/h3-8,10-11,13,15-17H,9,12,14,18H2,1-2H3.
What are the key properties of 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole has a molecular weight of 466.61 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 138571470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).