N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

C17H24FN4OS2+ — CID 8933125

About N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 8933125) has the molecular formula C17H24FN4OS2+ and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 8933125
• Molecular Formula: C17H24FN4OS2+
• Molecular Weight: 383.54 g/mol
• Exact Mass: 383.14
• IUPAC Name: N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
• SMILES: CC(C)C[NH+]1CCO[C@H](CSc2nnc(Nc3ccccc3F)s2)C1
• InChI: InChI=1S/C17H23FN4OS2/c1-12(2)9-22-7-8-23-13(10-22)11-24-17-21-20-16(25-17)19-15-6-4-3-5-14(15)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,20)/p+1/t13-/m0/s1
• InChIKey: NBFWQKBYFSLDKP-ZDUSSCGKSA-O
• XLogP: 2.45
• TPSA: 51.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.54
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 8933125) is N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is CC(C)C[NH+]1CCO[C@H](CSc2nnc(Nc3ccccc3F)s2)C1.

What is the InChIKey of N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?

The InChIKey is NBFWQKBYFSLDKP-ZDUSSCGKSA-O. The full InChI is InChI=1S/C17H23FN4OS2/c1-12(2)9-22-7-8-23-13(10-22)11-24-17-21-20-16(25-17)19-15-6-4-3-5-14(15)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,20)/p+1/t13-/m0/s1.

What are the key properties of N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?

N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 383.54 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 8933125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).