3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone

C19H15F2N3OS — CID 56944491

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1nc(Nc2ccccc2F)sc1F)N1CCc2ccccc2C1
InChIInChI=1S/C19H15F2N3OS/c20-14-7-3-4-8-15(14)22-19-23-16(17(21)26-19)18(25)24-10-9-12-5-1-2-6-13(12)11-24/h1-8H,9-11H2,(H,22,23)
InChIKeyLGBPXXRKVLRRBR-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.36
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone (PubChem CID 56944491) has the molecular formula C19H15F2N3OS and a molecular weight of 371.41 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone
PubChem CID56944491
Molecular FormulaC19H15F2N3OS
Molecular Weight371.41 g/mol
Exact Mass371.09
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1nc(Nc2ccccc2F)sc1F)N1CCc2ccccc2C1
InChIInChI=1S/C19H15F2N3OS/c20-14-7-3-4-8-15(14)22-19-23-16(17(21)26-19)18(25)24-10-9-12-5-1-2-6-13(12)11-24/h1-8H,9-11H2,(H,22,23)
InChIKeyLGBPXXRKVLRRBR-UHFFFAOYSA-N
XLogP4.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,4-difluoroanilino)-5-methyl-1,3-thiazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 88563712
3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylanilino)-5-methyl-1,3-thiazol-4-yl]methanone
CID 88563713
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
CID 110474832
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-fluorophenyl)benzamide
CID 109047920
(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
[6-(2,6-difluoroanilino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371759
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone
CID 110648378
(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 62248839
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 62661303
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 39033571

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone (CID 56944491) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone is O=C(c1nc(Nc2ccccc2F)sc1F)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone?
The InChIKey is LGBPXXRKVLRRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3OS/c20-14-7-3-4-8-15(14)22-19-23-16(17(21)26-19)18(25)24-10-9-12-5-1-2-6-13(12)11-24/h1-8H,9-11H2,(H,22,23).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone has a molecular weight of 371.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 56944491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).