4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole

C18H15ClN2S — CID 702908

IUPAC4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole
SMILESClc1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1
InChIInChI=1S/C18H15ClN2S/c19-16-7-5-14(6-8-16)17-12-22-18(20-17)21-10-9-13-3-1-2-4-15(13)11-21/h1-8,12H,9-11H2
InChIKeyJYRVEIIBDQITON-UHFFFAOYSA-N
MW326.85 g/mol
LogP5.03
Rot. Bonds2

About 4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole

4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole (PubChem CID 702908) has the molecular formula C18H15ClN2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole
PubChem CID702908
Molecular FormulaC18H15ClN2S
Molecular Weight326.85 g/mol
Exact Mass326.06
IUPAC Name4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole
SMILESClc1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1
InChIInChI=1S/C18H15ClN2S/c19-16-7-5-14(6-8-16)17-12-22-18(20-17)21-10-9-13-3-1-2-4-15(13)11-21/h1-8,12H,9-11H2
InChIKeyJYRVEIIBDQITON-UHFFFAOYSA-N
XLogP5.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.85
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine
CID 98468291
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 126758633
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 18886850
4-bromo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazole
CID 79398939
2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline
CID 22953665
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(4-chlorophenyl)-1,3-thiazole
CID 565978
(4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 45076516
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine-3,5-dione
CID 1489710
N-[(4-chlorophenyl)methyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112950606
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-N-[4-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-yl]phenoxy]butyl]-2,2,2-trifluoroacetamide
CID 87354046
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-4H-pyrazol-3-one
CID 2869564

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole (CID 702908) is 4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole is Clc1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole?
The InChIKey is JYRVEIIBDQITON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2S/c19-16-7-5-14(6-8-16)17-12-22-18(20-17)21-10-9-13-3-1-2-4-15(13)11-21/h1-8,12H,9-11H2.
What are the key properties of 4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole has a molecular weight of 326.85 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole is sourced from PubChem (CID 702908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).