(2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

C32H28N4O6S — CID 17273300

About (2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

(2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 17273300) has the molecular formula C32H28N4O6S and a molecular weight of 596.67 g/mol. Its IUPAC name is (2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: (2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• PubChem CID: 17273300
• Molecular Formula: C32H28N4O6S
• Molecular Weight: 596.67 g/mol
• Exact Mass: 596.17
• IUPAC Name: (2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• SMILES: COc1cccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)C(c2cccc(OC)c2OC)C=3C(=O)Nc2ccccc2)c1OC
• InChI: InChI=1S/C32H28N4O6S/c1-39-22-14-8-10-18(27(22)41-3)16-24-31(38)36-29(34)21(17-33)25(20-13-9-15-23(40-2)28(20)42-4)26(32(36)43-24)30(37)35-19-11-6-5-7-12-19/h5-16,25H,34H2,1-4H3,(H,35,37)/b24-16-
• InChIKey: ABXWLAKZIJVWJP-JLPGSUDCSA-N
• XLogP: 3.01
• TPSA: 137.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.67
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?

The IUPAC name of (2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 17273300) is (2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

What is the SMILES notation for (2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?

The canonical SMILES for (2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is COc1cccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)C(c2cccc(OC)c2OC)C=3C(=O)Nc2ccccc2)c1OC.

What is the InChIKey of (2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?

The InChIKey is ABXWLAKZIJVWJP-JLPGSUDCSA-N. The full InChI is InChI=1S/C32H28N4O6S/c1-39-22-14-8-10-18(27(22)41-3)16-24-31(38)36-29(34)21(17-33)25(20-13-9-15-23(40-2)28(20)42-4)26(32(36)43-24)30(37)35-19-11-6-5-7-12-19/h5-16,25H,34H2,1-4H3,(H,35,37)/b24-16-.

What are the key properties of (2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?

(2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 596.67 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-5-amino-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 17273300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).