N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

C20H17F3N4O3S — CID 90531738

About N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 90531738) has the molecular formula C20H17F3N4O3S and a molecular weight of 450.44 g/mol. Its IUPAC name is N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
• PubChem CID: 90531738
• Molecular Formula: C20H17F3N4O3S
• Molecular Weight: 450.44 g/mol
• Exact Mass: 450.10
• IUPAC Name: N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
• SMILES: O=C(CN1CCc2nc(NC(=O)c3ccoc3)sc2C1)Nc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C20H17F3N4O3S/c21-20(22,23)13-1-3-14(4-2-13)24-17(28)10-27-7-5-15-16(9-27)31-19(25-15)26-18(29)12-6-8-30-11-12/h1-4,6,8,11H,5,7,9-10H2,(H,24,28)(H,25,26,29)
• InChIKey: WACPHNQKTLGLIN-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.44
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

The IUPAC name of N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 90531738) is N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

What is the SMILES notation for N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

The canonical SMILES for N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is O=C(CN1CCc2nc(NC(=O)c3ccoc3)sc2C1)Nc1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

The InChIKey is WACPHNQKTLGLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3S/c21-20(22,23)13-1-3-14(4-2-13)24-17(28)10-27-7-5-15-16(9-27)31-19(25-15)26-18(29)12-6-8-30-11-12/h1-4,6,8,11H,5,7,9-10H2,(H,24,28)(H,25,26,29).

What are the key properties of N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 450.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 90531738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).