2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

C13H10F4N2S — CID 133422467

IUPAC2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFc1ccc2c(c1)CCN(c1nc(C(F)(F)F)cs1)C2
InChIInChI=1S/C13H10F4N2S/c14-10-2-1-9-6-19(4-3-8(9)5-10)12-18-11(7-20-12)13(15,16)17/h1-2,5,7H,3-4,6H2
InChIKeyJXYVUJDJUCSDPZ-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.86
Rot. Bonds1

About 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133422467) has the molecular formula C13H10F4N2S and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133422467
Molecular FormulaC13H10F4N2S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC Name2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFc1ccc2c(c1)CCN(c1nc(C(F)(F)F)cs1)C2
InChIInChI=1S/C13H10F4N2S/c14-10-2-1-9-6-19(4-3-8(9)5-10)12-18-11(7-20-12)13(15,16)17/h1-2,5,7H,3-4,6H2
InChIKeyJXYVUJDJUCSDPZ-UHFFFAOYSA-N
XLogP3.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 133422467) is 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is Fc1ccc2c(c1)CCN(c1nc(C(F)(F)F)cs1)C2.
What is the InChIKey of 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is JXYVUJDJUCSDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2S/c14-10-2-1-9-6-19(4-3-8(9)5-10)12-18-11(7-20-12)13(15,16)17/h1-2,5,7H,3-4,6H2.
What are the key properties of 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 302.30 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133422467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).