(2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C26H23N5O4S — CID 17021158

About (2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17021158) has the molecular formula C26H23N5O4S and a molecular weight of 501.57 g/mol. Its IUPAC name is (2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 17021158
• Molecular Formula: C26H23N5O4S
• Molecular Weight: 501.57 g/mol
• Exact Mass: 501.15
• IUPAC Name: (2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: COc1cc(C2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cnn(C)c4)c(=O)n32)ccc1O
• InChI: InChI=1S/C26H23N5O4S/c1-15-22(24(33)29-18-7-5-4-6-8-18)23(17-9-10-19(32)20(12-17)35-3)31-25(34)21(36-26(31)28-15)11-16-13-27-30(2)14-16/h4-14,23,32H,1-3H3,(H,29,33)/b21-11+
• InChIKey: SQPKFVCZWXTBAL-SRZZPIQSSA-N
• XLogP: 2.32
• TPSA: 110.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.57
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17021158) is (2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1cc(C2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cnn(C)c4)c(=O)n32)ccc1O.

What is the InChIKey of (2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is SQPKFVCZWXTBAL-SRZZPIQSSA-N. The full InChI is InChI=1S/C26H23N5O4S/c1-15-22(24(33)29-18-7-5-4-6-8-18)23(17-9-10-19(32)20(12-17)35-3)31-25(34)21(36-26(31)28-15)11-16-13-27-30(2)14-16/h4-14,23,32H,1-3H3,(H,29,33)/b21-11+.

What are the key properties of (2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 501.57 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17021158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).