3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide

C19H17FN2O2S — CID 20934767

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCc2ccccc2C1
InChIInChI=1S/C19H17FN2O2S/c1-13-18(15-6-8-17(20)9-7-15)25(23,24)21-19(13)22-11-10-14-4-2-3-5-16(14)12-22/h2-9H,10-12H2,1H3
InChIKeyBAIREEFPJGMCFB-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.36
Rot. Bonds1

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide

3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide (PubChem CID 20934767) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide
PubChem CID20934767
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCc2ccccc2C1
InChIInChI=1S/C19H17FN2O2S/c1-13-18(15-6-8-17(20)9-7-15)25(23,24)21-19(13)22-11-10-14-4-2-3-5-16(14)12-22/h2-9H,10-12H2,1H3
InChIKeyBAIREEFPJGMCFB-UHFFFAOYSA-N
XLogP3.36
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,5-dimethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545041
1-(4-chloro-2-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545674
3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110544859
1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea
CID 53187036
3-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110569941
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoroaniline
CID 62375892
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113042471
2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 141294642
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 53171335
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371631
N-butan-2-yl-4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-1,4-diazepane-1-carboxamide
CID 53187144

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide (CID 20934767) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide is CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCc2ccccc2C1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide?
The InChIKey is BAIREEFPJGMCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-13-18(15-6-8-17(20)9-7-15)25(23,24)21-19(13)22-11-10-14-4-2-3-5-16(14)12-22/h2-9H,10-12H2,1H3.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide has a molecular weight of 356.42 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 20934767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).