5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide

C19H18F2N4O3S — CID 70911892

About 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide (PubChem CID 70911892) has the molecular formula C19H18F2N4O3S and a molecular weight of 420.44 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide
• PubChem CID: 70911892
• Molecular Formula: C19H18F2N4O3S
• Molecular Weight: 420.44 g/mol
• Exact Mass: 420.11
• IUPAC Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide
• SMILES: CNC(=O)c1cc(-c2c(F)cc(C(C)(C)O)cc2F)sc1Nc1ccc(=O)[nH]n1
• InChI: InChI=1S/C19H18F2N4O3S/c1-19(2,28)9-6-11(20)16(12(21)7-9)13-8-10(17(27)22-3)18(29-13)23-14-4-5-15(26)25-24-14/h4-8,28H,1-3H3,(H,22,27)(H,23,24)(H,25,26)
• InChIKey: LZEFSORMMDAYSE-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 107.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.44
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide?

The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide (CID 70911892) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide.

What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide?

The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide is CNC(=O)c1cc(-c2c(F)cc(C(C)(C)O)cc2F)sc1Nc1ccc(=O)[nH]n1.

What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide?

The InChIKey is LZEFSORMMDAYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3S/c1-19(2,28)9-6-11(20)16(12(21)7-9)13-8-10(17(27)22-3)18(29-13)23-14-4-5-15(26)25-24-14/h4-8,28H,1-3H3,(H,22,27)(H,23,24)(H,25,26).

What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide?

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-N-methyl-2-[(6-oxo-1H-pyridazin-3-yl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 70911892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).