N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine

C20H19F3N2O3S — CID 162577797

About N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine

N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine (PubChem CID 162577797) has the molecular formula C20H19F3N2O3S and a molecular weight of 424.44 g/mol. Its IUPAC name is N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine.

Molecular Properties

• Compound Name: N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine
• PubChem CID: 162577797
• Molecular Formula: C20H19F3N2O3S
• Molecular Weight: 424.44 g/mol
• Exact Mass: 424.11
• IUPAC Name: N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine
• SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CCN(O)O)cc1
• InChI: InChI=1S/C20H19F3N2O3S/c1-13-18(12-28-17-8-2-14(3-9-17)10-11-25(26)27)29-19(24-13)15-4-6-16(7-5-15)20(21,22)23/h2-9,26-27H,10-12H2,1H3
• InChIKey: IJDNYUAYBHDSOT-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 65.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.44
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine?

The IUPAC name of N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine (CID 162577797) is N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine.

What is the SMILES notation for N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine?

The canonical SMILES for N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CCN(O)O)cc1.

What is the InChIKey of N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine?

The InChIKey is IJDNYUAYBHDSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3S/c1-13-18(12-28-17-8-2-14(3-9-17)10-11-25(26)27)29-19(24-13)15-4-6-16(7-5-15)20(21,22)23/h2-9,26-27H,10-12H2,1H3.

What are the key properties of N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine?

N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine has a molecular weight of 424.44 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine is sourced from PubChem (CID 162577797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).