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

C30H24N4O2S — CID 17273225

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

(2Z)-5-amino-2-benzylidene-6-cyano-N-(3,5-dimethylphenyl)-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 17273225) has the molecular formula C30H24N4O2S and a molecular weight of 504.62 g/mol. Its IUPAC name is (2Z)-5-amino-2-benzylidene-6-cyano-N-(3,5-dimethylphenyl)-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: (2Z)-5-amino-2-benzylidene-6-cyano-N-(3,5-dimethylphenyl)-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• PubChem CID: 17273225
• Molecular Formula: C30H24N4O2S
• Molecular Weight: 504.62 g/mol
• Exact Mass: 504.16
• IUPAC Name: (2Z)-5-amino-2-benzylidene-6-cyano-N-(3,5-dimethylphenyl)-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• SMILES: Cc1cc(C)cc(NC(=O)C2=c3s/c(=C\c4ccccc4)c(=O)n3C(N)=C(C#N)C2c2ccccc2)c1
• InChI: InChI=1S/C30H24N4O2S/c1-18-13-19(2)15-22(14-18)33-28(35)26-25(21-11-7-4-8-12-21)23(17-31)27(32)34-29(36)24(37-30(26)34)16-20-9-5-3-6-10-20/h3-16,25H,32H2,1-2H3,(H,33,35)/b24-16-
• InChIKey: NWFQEINJINEESJ-JLPGSUDCSA-N
• XLogP: 3.59
• TPSA: 100.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.62
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2Z)-5-amino-2-benzylidene-6-cyano-N-(3,5-dimethylphenyl)-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 17273225) is (2Z)-5-amino-2-benzylidene-6-cyano-N-(3,5-dimethylphenyl)-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

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

The canonical SMILES for (2Z)-5-amino-2-benzylidene-6-cyano-N-(3,5-dimethylphenyl)-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is Cc1cc(C)cc(NC(=O)C2=c3s/c(=C\c4ccccc4)c(=O)n3C(N)=C(C#N)C2c2ccccc2)c1.

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

The InChIKey is NWFQEINJINEESJ-JLPGSUDCSA-N. The full InChI is InChI=1S/C30H24N4O2S/c1-18-13-19(2)15-22(14-18)33-28(35)26-25(21-11-7-4-8-12-21)23(17-31)27(32)34-29(36)24(37-30(26)34)16-20-9-5-3-6-10-20/h3-16,25H,32H2,1-2H3,(H,33,35)/b24-16-.

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

(2Z)-5-amino-2-benzylidene-6-cyano-N-(3,5-dimethylphenyl)-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 504.62 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-5-amino-2-benzylidene-6-cyano-N-(3,5-dimethylphenyl)-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 17273225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).