5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide

C19H16F3N3O2S — CID 59526016

About 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide (PubChem CID 59526016) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
• PubChem CID: 59526016
• Molecular Formula: C19H16F3N3O2S
• Molecular Weight: 407.42 g/mol
• Exact Mass: 407.09
• IUPAC Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
• SMILES: CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(F)n3)s2)c(F)c1
• InChI: InChI=1S/C19H16F3N3O2S/c1-19(2,27)9-6-11(20)16(12(21)7-9)13-8-10(17(23)26)18(28-13)25-15-5-3-4-14(22)24-15/h3-8,27H,1-2H3,(H2,23,26)(H,24,25)
• InChIKey: KZLDMPNONBWXSX-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 88.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.42
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?

The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide (CID 59526016) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide.

What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?

The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide is CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(F)n3)s2)c(F)c1.

What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?

The InChIKey is KZLDMPNONBWXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c1-19(2,27)9-6-11(20)16(12(21)7-9)13-8-10(17(23)26)18(28-13)25-15-5-3-4-14(22)24-15/h3-8,27H,1-2H3,(H2,23,26)(H,24,25).

What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 59526016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).