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

C26H24N6S — CID 138571472

IUPAC2-[7-(4-methylimidazol-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)cn1
InChIInChI=1S/C26H24N6S/c1-19-16-31(18-28-19)23-7-6-21-8-11-30(17-22(21)14-23)26-27-15-25(33-26)13-20-4-2-5-24(12-20)32-10-3-9-29-32/h2-7,9-10,12,14-16,18H,8,11,13,17H2,1H3
InChIKeyJGTSGBXJRDDZJS-UHFFFAOYSA-N
MW452.59 g/mol
LogP4.98
Rot. Bonds5

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

2-[7-(4-methylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole (PubChem CID 138571472) has the molecular formula C26H24N6S and a molecular weight of 452.59 g/mol. Its IUPAC name is 2-[7-(4-methylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[7-(4-methylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole
PubChem CID138571472
Molecular FormulaC26H24N6S
Molecular Weight452.59 g/mol
Exact Mass452.18
IUPAC Name2-[7-(4-methylimidazol-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)cn1
InChIInChI=1S/C26H24N6S/c1-19-16-31(18-28-19)23-7-6-21-8-11-30(17-22(21)14-23)26-27-15-25(33-26)13-20-4-2-5-24(12-20)32-10-3-9-29-32/h2-7,9-10,12,14-16,18H,8,11,13,17H2,1H3
InChIKeyJGTSGBXJRDDZJS-UHFFFAOYSA-N
XLogP4.98
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.59
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-methyl-1,3-thiazol-2-amine
CID 155515761
N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 155561296
5-[[4-(3,4-Dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole
CID 4840821

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-methylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[7-(4-methylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole (CID 138571472) is 2-[7-(4-methylimidazol-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-(4-methylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[7-(4-methylimidazol-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)cn1.
What is the InChIKey of 2-[7-(4-methylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
The InChIKey is JGTSGBXJRDDZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6S/c1-19-16-31(18-28-19)23-7-6-21-8-11-30(17-22(21)14-23)26-27-15-25(33-26)13-20-4-2-5-24(12-20)32-10-3-9-29-32/h2-7,9-10,12,14-16,18H,8,11,13,17H2,1H3.
What are the key properties of 2-[7-(4-methylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
2-[7-(4-methylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole has a molecular weight of 452.59 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-methylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 138571472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).