methyl (2Z)-7-methyl-5-(3-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H22N2O3S — CID 10502135

About methyl (2Z)-7-methyl-5-(3-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl (2Z)-7-methyl-5-(3-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 10502135) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is methyl (2Z)-7-methyl-5-(3-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: methyl (2Z)-7-methyl-5-(3-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 10502135
• Molecular Formula: C24H22N2O3S
• Molecular Weight: 418.52 g/mol
• Exact Mass: 418.14
• IUPAC Name: methyl (2Z)-7-methyl-5-(3-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2C1c1cccc(C)c1
• InChI: InChI=1S/C24H22N2O3S/c1-14-8-10-17(11-9-14)13-19-22(27)26-21(18-7-5-6-15(2)12-18)20(23(28)29-4)16(3)25-24(26)30-19/h5-13,21H,1-4H3/b19-13-
• InChIKey: ORWHFCHMKUWJBL-UYRXBGFRSA-N
• XLogP: 3.03
• TPSA: 60.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.52
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of methyl (2Z)-7-methyl-5-(3-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 10502135) is methyl (2Z)-7-methyl-5-(3-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for methyl (2Z)-7-methyl-5-(3-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2C1c1cccc(C)c1.

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

The InChIKey is ORWHFCHMKUWJBL-UYRXBGFRSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-14-8-10-17(11-9-14)13-19-22(27)26-21(18-7-5-6-15(2)12-18)20(23(28)29-4)16(3)25-24(26)30-19/h5-13,21H,1-4H3/b19-13-.

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

methyl (2Z)-7-methyl-5-(3-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 418.52 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2Z)-7-methyl-5-(3-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 10502135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).