3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide

C24H19F2N3O3S — CID 137289369

About 3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide

3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide (PubChem CID 137289369) has the molecular formula C24H19F2N3O3S and a molecular weight of 467.50 g/mol. Its IUPAC name is 3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
• PubChem CID: 137289369
• Molecular Formula: C24H19F2N3O3S
• Molecular Weight: 467.50 g/mol
• Exact Mass: 467.11
• IUPAC Name: 3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
• SMILES: O=C(N[C@@H](CO)Cc1ccccn1)c1cccc(F)c1-c1cnc(-c2ccc(F)cc2O)s1
• InChI: InChI=1S/C24H19F2N3O3S/c25-14-7-8-17(20(31)10-14)24-28-12-21(33-24)22-18(5-3-6-19(22)26)23(32)29-16(13-30)11-15-4-1-2-9-27-15/h1-10,12,16,30-31H,11,13H2,(H,29,32)/t16-/m1/s1
• InChIKey: MSTZNTMCNQWFFD-MRXNPFEDSA-N
• XLogP: 4.19
• TPSA: 95.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.50
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?

The IUPAC name of 3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide (CID 137289369) is 3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide.

What is the SMILES notation for 3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?

The canonical SMILES for 3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide is O=C(N[C@@H](CO)Cc1ccccn1)c1cccc(F)c1-c1cnc(-c2ccc(F)cc2O)s1.

What is the InChIKey of 3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?

The InChIKey is MSTZNTMCNQWFFD-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H19F2N3O3S/c25-14-7-8-17(20(31)10-14)24-28-12-21(33-24)22-18(5-3-6-19(22)26)23(32)29-16(13-30)11-15-4-1-2-9-27-15/h1-10,12,16,30-31H,11,13H2,(H,29,32)/t16-/m1/s1.

What are the key properties of 3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?

3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide has a molecular weight of 467.50 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 137289369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).