4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole

C12H12FN3S — CID 86785153

IUPAC4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole
SMILESFc1ccc2c(c1)CCN(Cc1csnn1)C2
InChIInChI=1S/C12H12FN3S/c13-11-2-1-10-6-16(4-3-9(10)5-11)7-12-8-17-15-14-12/h1-2,5,8H,3-4,6-7H2
InChIKeyTWOYPFGMGDSFGU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.24
Rot. Bonds2

About 4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole

4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole (PubChem CID 86785153) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole.

Molecular Properties

Compound Name4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole
PubChem CID86785153
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole
SMILESFc1ccc2c(c1)CCN(Cc1csnn1)C2
InChIInChI=1S/C12H12FN3S/c13-11-2-1-10-6-16(4-3-9(10)5-11)7-12-8-17-15-14-12/h1-2,5,8H,3-4,6-7H2
InChIKeyTWOYPFGMGDSFGU-UHFFFAOYSA-N
XLogP2.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole?
The IUPAC name of 4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole (CID 86785153) is 4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole.
What is the SMILES notation for 4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole?
The canonical SMILES for 4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole is Fc1ccc2c(c1)CCN(Cc1csnn1)C2.
What is the InChIKey of 4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole?
The InChIKey is TWOYPFGMGDSFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S/c13-11-2-1-10-6-16(4-3-9(10)5-11)7-12-8-17-15-14-12/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole?
4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole has a molecular weight of 249.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole is sourced from PubChem (CID 86785153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).