(2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

C32H27ClN4O6S — CID 17273305

About (2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

(2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 17273305) has the molecular formula C32H27ClN4O6S and a molecular weight of 631.11 g/mol. Its IUPAC name is (2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: (2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• PubChem CID: 17273305
• Molecular Formula: C32H27ClN4O6S
• Molecular Weight: 631.11 g/mol
• Exact Mass: 630.13
• IUPAC Name: (2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-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)Nc2ccc(Cl)cc2)c1OC
• InChI: InChI=1S/C32H27ClN4O6S/c1-40-22-9-5-7-17(27(22)42-3)15-24-31(39)37-29(35)21(16-34)25(20-8-6-10-23(41-2)28(20)43-4)26(32(37)44-24)30(38)36-19-13-11-18(33)12-14-19/h5-15,25H,35H2,1-4H3,(H,36,38)/b24-15-
• InChIKey: KAYMRSMMVURQJD-IWIPYMOSSA-N
• XLogP: 3.66
• TPSA: 137.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	631.11
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?

The IUPAC name of (2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 17273305) is (2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

What is the SMILES notation for (2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?

The canonical SMILES for (2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-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)Nc2ccc(Cl)cc2)c1OC.

What is the InChIKey of (2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?

The InChIKey is KAYMRSMMVURQJD-IWIPYMOSSA-N. The full InChI is InChI=1S/C32H27ClN4O6S/c1-40-22-9-5-7-17(27(22)42-3)15-24-31(39)37-29(35)21(16-34)25(20-8-6-10-23(41-2)28(20)43-4)26(32(37)44-24)30(38)36-19-13-11-18(33)12-14-19/h5-15,25H,35H2,1-4H3,(H,36,38)/b24-15-.

What are the key properties of (2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?

(2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 631.11 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-5-amino-N-(4-chlorophenyl)-6-cyano-7-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 17273305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).