N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide

C20H15FN4O3S — CID 167998520

About N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide

N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide (PubChem CID 167998520) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide
• PubChem CID: 167998520
• Molecular Formula: C20H15FN4O3S
• Molecular Weight: 410.43 g/mol
• Exact Mass: 410.08
• IUPAC Name: N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide
• SMILES: O=C1CC(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)NC(=O)N1
• InChI: InChI=1S/C20H15FN4O3S/c21-13-7-3-1-5-11(13)19-23-16(10-29-19)12-6-2-4-8-14(12)22-18(27)15-9-17(26)25-20(28)24-15/h1-8,10,15H,9H2,(H,22,27)(H2,24,25,26,28)
• InChIKey: VXXAIHKFBMTBDZ-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 100.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.43
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide?

The IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide (CID 167998520) is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide.

What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide?

The canonical SMILES for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide is O=C1CC(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)NC(=O)N1.

What is the InChIKey of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide?

The InChIKey is VXXAIHKFBMTBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c21-13-7-3-1-5-11(13)19-23-16(10-29-19)12-6-2-4-8-14(12)22-18(27)15-9-17(26)25-20(28)24-15/h1-8,10,15H,9H2,(H,22,27)(H2,24,25,26,28).

What are the key properties of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide?

N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 167998520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).