2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide

C20H17FN4O2S — CID 42508630

IUPAC2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)c1csnn1)CC2
InChIInChI=1S/C20H17FN4O2S/c21-17-4-2-1-3-14(17)10-19(26)22-16-6-5-13-7-8-25(11-15(13)9-16)20(27)18-12-28-24-23-18/h1-6,9,12H,7-8,10-11H2,(H,22,26)
InChIKeyAILUDSLQYLARBB-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.06
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide

2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide (PubChem CID 42508630) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
PubChem CID42508630
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC Name2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)c1csnn1)CC2
InChIInChI=1S/C20H17FN4O2S/c21-17-4-2-1-3-14(17)10-19(26)22-16-6-5-13-7-8-25(11-15(13)9-16)20(27)18-12-28-24-23-18/h1-6,9,12H,7-8,10-11H2,(H,22,26)
InChIKeyAILUDSLQYLARBB-UHFFFAOYSA-N
XLogP3.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide 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 2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide (CID 42508630) is 2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide is O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)c1csnn1)CC2.
What is the InChIKey of 2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
The InChIKey is AILUDSLQYLARBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c21-17-4-2-1-3-14(17)10-19(26)22-16-6-5-13-7-8-25(11-15(13)9-16)20(27)18-12-28-24-23-18/h1-6,9,12H,7-8,10-11H2,(H,22,26).
What are the key properties of 2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide has a molecular weight of 396.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[2-(thiadiazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide is sourced from PubChem (CID 42508630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).