2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C32H25F2N3O5S — CID 4773329

About 2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4773329) has the molecular formula C32H25F2N3O5S and a molecular weight of 601.63 g/mol. Its IUPAC name is 2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 4773329
• Molecular Formula: C32H25F2N3O5S
• Molecular Weight: 601.63 g/mol
• Exact Mass: 601.15
• IUPAC Name: 2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)n2c(sc(=Cc3ccc(COc4ccc(F)cc4F)o3)c2=O)=N1
• InChI: InChI=1S/C32H25F2N3O5S/c1-17-6-4-5-7-24(17)36-30(38)28-19(3)35-32-37(29(28)26-12-8-18(2)41-26)31(39)27(43-32)15-21-10-11-22(42-21)16-40-25-13-9-20(33)14-23(25)34/h4-15,29H,16H2,1-3H3,(H,36,38)
• InChIKey: VPPBUDMZYRVYAW-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 98.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.63
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4773329) is 2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)n2c(sc(=Cc3ccc(COc4ccc(F)cc4F)o3)c2=O)=N1.

What is the InChIKey of 2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is VPPBUDMZYRVYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F2N3O5S/c1-17-6-4-5-7-24(17)36-30(38)28-19(3)35-32-37(29(28)26-12-8-18(2)41-26)31(39)27(43-32)15-21-10-11-22(42-21)16-40-25-13-9-20(33)14-23(25)34/h4-15,29H,16H2,1-3H3,(H,36,38).

What are the key properties of 2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 601.63 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4773329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).