3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C26H16F2N4O3S — CID 121148716

About 3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121148716) has the molecular formula C26H16F2N4O3S and a molecular weight of 502.50 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
• PubChem CID: 121148716
• Molecular Formula: C26H16F2N4O3S
• Molecular Weight: 502.50 g/mol
• Exact Mass: 502.09
• IUPAC Name: 3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
• SMILES: O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1c[nH]c(=O)n(-c2ccccc2F)c1=O
• InChI: InChI=1S/C26H16F2N4O3S/c27-18-9-3-1-7-15(18)24-31-21(14-36-24)16-8-2-5-11-20(16)30-23(33)17-13-29-26(35)32(25(17)34)22-12-6-4-10-19(22)28/h1-14H,(H,29,35)(H,30,33)
• InChIKey: DMLQEJDYRJKKEV-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 96.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.50
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?

The IUPAC name of 3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121148716) is 3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?

The canonical SMILES for 3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1c[nH]c(=O)n(-c2ccccc2F)c1=O.

What is the InChIKey of 3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?

The InChIKey is DMLQEJDYRJKKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F2N4O3S/c27-18-9-3-1-7-15(18)24-31-21(14-36-24)16-8-2-5-11-20(16)30-23(33)17-13-29-26(35)32(25(17)34)22-12-6-4-10-19(22)28/h1-14H,(H,29,35)(H,30,33).

What are the key properties of 3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?

3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 502.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121148716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).