ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate

C32H28ClN3O4S — CID 17273523

About ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate

ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate (PubChem CID 17273523) has the molecular formula C32H28ClN3O4S and a molecular weight of 586.11 g/mol. Its IUPAC name is ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
• PubChem CID: 17273523
• Molecular Formula: C32H28ClN3O4S
• Molecular Weight: 586.11 g/mol
• Exact Mass: 585.15
• IUPAC Name: ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
• SMILES: CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(C)cc3)c2=O)=C(C(=O)Nc2ccc(Cl)cc2)C1c1ccc(C)cc1
• InChI: InChI=1S/C32H28ClN3O4S/c1-4-40-32(39)26-25(21-11-7-19(3)8-12-21)27(29(37)35-23-15-13-22(33)14-16-23)31-36(28(26)34)30(38)24(41-31)17-20-9-5-18(2)6-10-20/h5-17,25H,4,34H2,1-3H3,(H,35,37)/b24-17-
• InChIKey: VPAZSOPNEQPXCL-ULJHMMPZSA-N
• XLogP: 4.29
• TPSA: 103.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.11
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?

The IUPAC name of ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate (CID 17273523) is ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate.

What is the SMILES notation for ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?

The canonical SMILES for ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate is CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(C)cc3)c2=O)=C(C(=O)Nc2ccc(Cl)cc2)C1c1ccc(C)cc1.

What is the InChIKey of ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?

The InChIKey is VPAZSOPNEQPXCL-ULJHMMPZSA-N. The full InChI is InChI=1S/C32H28ClN3O4S/c1-4-40-32(39)26-25(21-11-7-19(3)8-12-21)27(29(37)35-23-15-13-22(33)14-16-23)31-36(28(26)34)30(38)24(41-31)17-20-9-5-18(2)6-10-20/h5-17,25H,4,34H2,1-3H3,(H,35,37)/b24-17-.

What are the key properties of ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?

ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate has a molecular weight of 586.11 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-5-amino-8-[(4-chlorophenyl)carbamoyl]-7-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 17273523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).