2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide

C20H17F5N4O3S — CID 162558034

About 2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide

2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide (PubChem CID 162558034) has the molecular formula C20H17F5N4O3S and a molecular weight of 488.44 g/mol. Its IUPAC name is 2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide
• PubChem CID: 162558034
• Molecular Formula: C20H17F5N4O3S
• Molecular Weight: 488.44 g/mol
• Exact Mass: 488.09
• IUPAC Name: 2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide
• SMILES: C=Cc1oc(N)c(C(=O)NC)c1CC(O)Nc1nc(-c2c(F)ccc(C(F)(F)F)c2F)cs1
• InChI: InChI=1S/C20H17F5N4O3S/c1-3-12-8(14(17(26)32-12)18(31)27-2)6-13(30)29-19-28-11(7-33-19)15-10(21)5-4-9(16(15)22)20(23,24)25/h3-5,7,13,30H,1,6,26H2,2H3,(H,27,31)(H,28,29)
• InChIKey: FOXXNHMREOHABU-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 113.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.44
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide?

The IUPAC name of 2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide (CID 162558034) is 2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide.

What is the SMILES notation for 2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide?

The canonical SMILES for 2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide is C=Cc1oc(N)c(C(=O)NC)c1CC(O)Nc1nc(-c2c(F)ccc(C(F)(F)F)c2F)cs1.

What is the InChIKey of 2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide?

The InChIKey is FOXXNHMREOHABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5N4O3S/c1-3-12-8(14(17(26)32-12)18(31)27-2)6-13(30)29-19-28-11(7-33-19)15-10(21)5-4-9(16(15)22)20(23,24)25/h3-5,7,13,30H,1,6,26H2,2H3,(H,27,31)(H,28,29).

What are the key properties of 2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide?

2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide has a molecular weight of 488.44 g/mol, XLogP of 4.26, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-hydroxyethyl]-5-ethenyl-N-methylfuran-3-carboxamide is sourced from PubChem (CID 162558034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).