3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide

C19H17F3N4O3S2 — CID 162757730

About 3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide

3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 162757730) has the molecular formula C19H17F3N4O3S2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide
• PubChem CID: 162757730
• Molecular Formula: C19H17F3N4O3S2
• Molecular Weight: 470.50 g/mol
• Exact Mass: 470.07
• IUPAC Name: 3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide
• SMILES: Cc1nc(CNC(=O)N2CCC(O)C2)sc1-c1csc(-c2cc(F)c(O)c(F)c2F)n1
• InChI: InChI=1S/C19H17F3N4O3S2/c1-8-17(31-13(24-8)5-23-19(29)26-3-2-9(27)6-26)12-7-30-18(25-12)10-4-11(20)16(28)15(22)14(10)21/h4,7,9,27-28H,2-3,5-6H2,1H3,(H,23,29)
• InChIKey: FMOSWKHQPRVOFJ-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 98.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.50
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide?

The IUPAC name of 3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide (CID 162757730) is 3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide.

What is the SMILES notation for 3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide?

The canonical SMILES for 3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide is Cc1nc(CNC(=O)N2CCC(O)C2)sc1-c1csc(-c2cc(F)c(O)c(F)c2F)n1.

What is the InChIKey of 3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide?

The InChIKey is FMOSWKHQPRVOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S2/c1-8-17(31-13(24-8)5-23-19(29)26-3-2-9(27)6-26)12-7-30-18(25-12)10-4-11(20)16(28)15(22)14(10)21/h4,7,9,27-28H,2-3,5-6H2,1H3,(H,23,29).

What are the key properties of 3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide?

3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 162757730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).