4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide

C19H17F2N5OS — CID 71469152

About 4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide

4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide (PubChem CID 71469152) has the molecular formula C19H17F2N5OS and a molecular weight of 401.44 g/mol. Its IUPAC name is 4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide
• PubChem CID: 71469152
• Molecular Formula: C19H17F2N5OS
• Molecular Weight: 401.44 g/mol
• Exact Mass: 401.11
• IUPAC Name: 4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide
• SMILES: NC(=O)c1ccc(F)c(-c2nsc(NCC3(c4ncccc4F)CCC3)n2)c1
• InChI: InChI=1S/C19H17F2N5OS/c20-13-5-4-11(16(22)27)9-12(13)17-25-18(28-26-17)24-10-19(6-2-7-19)15-14(21)3-1-8-23-15/h1,3-5,8-9H,2,6-7,10H2,(H2,22,27)(H,24,25,26)
• InChIKey: FIAJIVKPXFMSGN-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 93.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.44
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide?

The IUPAC name of 4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide (CID 71469152) is 4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide.

What is the SMILES notation for 4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide?

The canonical SMILES for 4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide is NC(=O)c1ccc(F)c(-c2nsc(NCC3(c4ncccc4F)CCC3)n2)c1.

What is the InChIKey of 4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide?

The InChIKey is FIAJIVKPXFMSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5OS/c20-13-5-4-11(16(22)27)9-12(13)17-25-18(28-26-17)24-10-19(6-2-7-19)15-14(21)3-1-8-23-15/h1,3-5,8-9H,2,6-7,10H2,(H2,22,27)(H,24,25,26).

What are the key properties of 4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide?

4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide has a molecular weight of 401.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide is sourced from PubChem (CID 71469152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).