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

C18H16N2S — CID 686187

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole
SMILESc1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1
InChIInChI=1S/C18H16N2S/c1-2-7-15(8-3-1)17-13-21-18(19-17)20-11-10-14-6-4-5-9-16(14)12-20/h1-9,13H,10-12H2
InChIKeyCDDCAFVGKIIDPG-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.37
Rot. Bonds2

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole (PubChem CID 686187) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole
PubChem CID686187
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole
SMILESc1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1
InChIInChI=1S/C18H16N2S/c1-2-7-15(8-3-1)17-13-21-18(19-17)20-11-10-14-6-4-5-9-16(14)12-20/h1-9,13H,10-12H2
InChIKeyCDDCAFVGKIIDPG-UHFFFAOYSA-N
XLogP4.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole (CID 686187) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole is c1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole?
The InChIKey is CDDCAFVGKIIDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c1-2-7-15(8-3-1)17-13-21-18(19-17)20-11-10-14-6-4-5-9-16(14)12-20/h1-9,13H,10-12H2.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole has a molecular weight of 292.41 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 686187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).