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

C28H17Cl2N5O4S — CID 17273042

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

(2Z)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-N-(3-nitrophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 17273042) has the molecular formula C28H17Cl2N5O4S and a molecular weight of 590.45 g/mol. Its IUPAC name is (2Z)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-N-(3-nitrophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: (2Z)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-N-(3-nitrophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• PubChem CID: 17273042
• Molecular Formula: C28H17Cl2N5O4S
• Molecular Weight: 590.45 g/mol
• Exact Mass: 589.04
• IUPAC Name: (2Z)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-N-(3-nitrophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• SMILES: N#CC1=C(N)n2c(s/c(=C\c3ccccc3Cl)c2=O)=C(C(=O)Nc2cccc([N+](=O)[O-])c2)C1c1ccccc1Cl
• InChI: InChI=1S/C28H17Cl2N5O4S/c29-20-10-3-1-6-15(20)12-22-27(37)34-25(32)19(14-31)23(18-9-2-4-11-21(18)30)24(28(34)40-22)26(36)33-16-7-5-8-17(13-16)35(38)39/h1-13,23H,32H2,(H,33,36)/b22-12-
• InChIKey: GFICMJCBPHPGGR-UUYOSTAYSA-N
• XLogP: 4.19
• TPSA: 144.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.45
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2Z)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-N-(3-nitrophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 17273042) is (2Z)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-N-(3-nitrophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

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

The canonical SMILES for (2Z)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-N-(3-nitrophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is N#CC1=C(N)n2c(s/c(=C\c3ccccc3Cl)c2=O)=C(C(=O)Nc2cccc([N+](=O)[O-])c2)C1c1ccccc1Cl.

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

The InChIKey is GFICMJCBPHPGGR-UUYOSTAYSA-N. The full InChI is InChI=1S/C28H17Cl2N5O4S/c29-20-10-3-1-6-15(20)12-22-27(37)34-25(32)19(14-31)23(18-9-2-4-11-21(18)30)24(28(34)40-22)26(36)33-16-7-5-8-17(13-16)35(38)39/h1-13,23H,32H2,(H,33,36)/b22-12-.

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

(2Z)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-N-(3-nitrophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 590.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-N-(3-nitrophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 17273042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).