1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one

C20H18F2N4O3S — CID 58051143

About 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one

1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 58051143) has the molecular formula C20H18F2N4O3S and a molecular weight of 432.45 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
• PubChem CID: 58051143
• Molecular Formula: C20H18F2N4O3S
• Molecular Weight: 432.45 g/mol
• Exact Mass: 432.11
• IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
• SMILES: Cc1nc(N2CCN(Cc3ccc(F)c(F)c3)C2=O)sc1C(=O)CCc1cocn1
• InChI: InChI=1S/C20H18F2N4O3S/c1-12-18(17(27)5-3-14-10-29-11-23-14)30-19(24-12)26-7-6-25(20(26)28)9-13-2-4-15(21)16(22)8-13/h2,4,8,10-11H,3,5-7,9H2,1H3
• InChIKey: KYCFPTHGVHLTEK-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 79.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.45
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?

The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one (CID 58051143) is 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one.

What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?

The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one is Cc1nc(N2CCN(Cc3ccc(F)c(F)c3)C2=O)sc1C(=O)CCc1cocn1.

What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?

The InChIKey is KYCFPTHGVHLTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3S/c1-12-18(17(27)5-3-14-10-29-11-23-14)30-19(24-12)26-7-6-25(20(26)28)9-13-2-4-15(21)16(22)8-13/h2,4,8,10-11H,3,5-7,9H2,1H3.

What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?

1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 432.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-[3-(1,3-oxazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 58051143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).