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

C25H20Cl2N4O2S — CID 17273265

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

(2E)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-6-cyano-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 17273265) has the molecular formula C25H20Cl2N4O2S and a molecular weight of 511.43 g/mol. Its IUPAC name is (2E)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-6-cyano-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: (2E)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-6-cyano-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• PubChem CID: 17273265
• Molecular Formula: C25H20Cl2N4O2S
• Molecular Weight: 511.43 g/mol
• Exact Mass: 510.07
• IUPAC Name: (2E)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-6-cyano-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• SMILES: CCCNC(=O)C1=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2C(N)=C(C#N)C1c1ccc(Cl)cc1
• InChI: InChI=1S/C25H20Cl2N4O2S/c1-2-11-30-23(32)21-20(15-5-9-17(27)10-6-15)18(13-28)22(29)31-24(33)19(34-25(21)31)12-14-3-7-16(26)8-4-14/h3-10,12,20H,2,11,29H2,1H3,(H,30,32)/b19-12+
• InChIKey: VGYHYVAFAUWIFJ-XDHOZWIPSA-N
• XLogP: 3.17
• TPSA: 100.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.43
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2E)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-6-cyano-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 17273265) is (2E)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-6-cyano-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

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

The canonical SMILES for (2E)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-6-cyano-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is CCCNC(=O)C1=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2C(N)=C(C#N)C1c1ccc(Cl)cc1.

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

The InChIKey is VGYHYVAFAUWIFJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C25H20Cl2N4O2S/c1-2-11-30-23(32)21-20(15-5-9-17(27)10-6-15)18(13-28)22(29)31-24(33)19(34-25(21)31)12-14-3-7-16(26)8-4-14/h3-10,12,20H,2,11,29H2,1H3,(H,30,32)/b19-12+.

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

(2E)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-6-cyano-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 511.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-6-cyano-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 17273265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).