3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide

C23H19FN4OS — CID 59651304

About 3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide

3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide (PubChem CID 59651304) has the molecular formula C23H19FN4OS and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
• PubChem CID: 59651304
• Molecular Formula: C23H19FN4OS
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.13
• IUPAC Name: 3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nc(-c4cccnc4)cs3)c2)cc1F
• InChI: InChI=1S/C23H19FN4OS/c1-14-5-7-16(10-19(14)24)22(29)26-18-8-6-15(2)20(11-18)27-23-28-21(13-30-23)17-4-3-9-25-12-17/h3-13H,1-2H3,(H,26,29)(H,27,28)
• InChIKey: VYURDRCZTKRZEG-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?

The IUPAC name of 3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide (CID 59651304) is 3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide.

What is the SMILES notation for 3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?

The canonical SMILES for 3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nc(-c4cccnc4)cs3)c2)cc1F.

What is the InChIKey of 3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?

The InChIKey is VYURDRCZTKRZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4OS/c1-14-5-7-16(10-19(14)24)22(29)26-18-8-6-15(2)20(11-18)27-23-28-21(13-30-23)17-4-3-9-25-12-17/h3-13H,1-2H3,(H,26,29)(H,27,28).

What are the key properties of 3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?

3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 59651304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).