3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide

C15H7Cl2F2N3OS — CID 146076485

About 3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide

3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 146076485) has the molecular formula C15H7Cl2F2N3OS and a molecular weight of 386.21 g/mol. Its IUPAC name is 3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
• PubChem CID: 146076485
• Molecular Formula: C15H7Cl2F2N3OS
• Molecular Weight: 386.21 g/mol
• Exact Mass: 384.97
• IUPAC Name: 3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
• SMILES: O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc(Cl)cc(Cl)c1F
• InChI: InChI=1S/C15H7Cl2F2N3OS/c16-8-5-10(12(19)11(17)6-8)14(23)21-15-20-13(22-24-15)7-1-3-9(18)4-2-7/h1-6H,(H,20,21,22,23)
• InChIKey: FVPXOLUHPPEYJS-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.21
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide?

The IUPAC name of 3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide (CID 146076485) is 3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide.

What is the SMILES notation for 3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide?

The canonical SMILES for 3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide is O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc(Cl)cc(Cl)c1F.

What is the InChIKey of 3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide?

The InChIKey is FVPXOLUHPPEYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F2N3OS/c16-8-5-10(12(19)11(17)6-8)14(23)21-15-20-13(22-24-15)7-1-3-9(18)4-2-7/h1-6H,(H,20,21,22,23).

What are the key properties of 3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide?

3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 386.21 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 146076485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).