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

C32H24BrN3O3S — CID 21208783

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

(2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 21208783) has the molecular formula C32H24BrN3O3S and a molecular weight of 610.53 g/mol. Its IUPAC name is (2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 21208783
• Molecular Formula: C32H24BrN3O3S
• Molecular Weight: 610.53 g/mol
• Exact Mass: 609.07
• IUPAC Name: (2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c2=O)=N1
• InChI: InChI=1S/C32H24BrN3O3S/c1-19-8-10-22(11-9-19)29-28(30(37)35-24-6-4-3-5-7-24)20(2)34-32-36(29)31(38)27(40-32)18-25-16-17-26(39-25)21-12-14-23(33)15-13-21/h3-18,29H,1-2H3,(H,35,37)/b27-18-
• InChIKey: NEONXFRRHUMUJN-IMRQLAEWSA-N
• XLogP: 6.20
• TPSA: 76.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.53
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 21208783) is (2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for (2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c2=O)=N1.

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

The InChIKey is NEONXFRRHUMUJN-IMRQLAEWSA-N. The full InChI is InChI=1S/C32H24BrN3O3S/c1-19-8-10-22(11-9-19)29-28(30(37)35-24-6-4-3-5-7-24)20(2)34-32-36(29)31(38)27(40-32)18-25-16-17-26(39-25)21-12-14-23(33)15-13-21/h3-18,29H,1-2H3,(H,35,37)/b27-18-.

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

(2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 610.53 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 21208783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).