6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one

C₁₇H₁₃FN₄OS — CID 158710675

About 6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one

6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 158710675) has the molecular formula C₁₇H₁₃FN₄OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one
• PubChem CID: 158710675
• Molecular Formula: C₁₇H₁₃FN₄OS
• Molecular Weight: 340.38 g/mol
• Exact Mass: 340.08
• IUPAC Name: 6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one
• SMILES: O=C1Cc2ccc(C3=NN/C(=N/c4ccc(F)cc4)SC3)cc2N1
• InChI: InChI=1S/C17H13FN4OS/c18-12-3-5-13(6-4-12)19-17-22-21-15(9-24-17)10-1-2-11-8-16(23)20-14(11)7-10/h1-7H,8-9H2,(H,19,22)(H,20,23)
• InChIKey: IIRGBFIGXMNWBD-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 65.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.38
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_urea_L(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one?

The IUPAC name of 6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one (CID 158710675) is 6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one.

What is the SMILES notation for 6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one?

The canonical SMILES for 6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one is O=C1Cc2ccc(C3=NN/C(=N/c4ccc(F)cc4)SC3)cc2N1.

What is the InChIKey of 6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one?

The InChIKey is IIRGBFIGXMNWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c18-12-3-5-13(6-4-12)19-17-22-21-15(9-24-17)10-1-2-11-8-16(23)20-14(11)7-10/h1-7H,8-9H2,(H,19,22)(H,20,23).

What are the key properties of 6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one?

6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 340.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 158710675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158710675 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.