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

C28H17BrCl2N4O2S — CID 17273177

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

(2Z)-5-amino-N-(4-bromophenyl)-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 17273177) has the molecular formula C28H17BrCl2N4O2S and a molecular weight of 624.35 g/mol. Its IUPAC name is (2Z)-5-amino-N-(4-bromophenyl)-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: (2Z)-5-amino-N-(4-bromophenyl)-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• PubChem CID: 17273177
• Molecular Formula: C28H17BrCl2N4O2S
• Molecular Weight: 624.35 g/mol
• Exact Mass: 621.96
• IUPAC Name: (2Z)-5-amino-N-(4-bromophenyl)-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-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)Nc2ccc(Br)cc2)C1c1ccccc1Cl
• InChI: InChI=1S/C28H17BrCl2N4O2S/c29-16-9-11-17(12-10-16)34-26(36)24-23(18-6-2-4-8-21(18)31)19(14-32)25(33)35-27(37)22(38-28(24)35)13-15-5-1-3-7-20(15)30/h1-13,23H,33H2,(H,34,36)/b22-13-
• InChIKey: XFOGNIMSZYVGCX-XKZIYDEJSA-N
• XLogP: 5.05
• TPSA: 100.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.35
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2Z)-5-amino-N-(4-bromophenyl)-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 17273177) is (2Z)-5-amino-N-(4-bromophenyl)-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

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

The canonical SMILES for (2Z)-5-amino-N-(4-bromophenyl)-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-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)Nc2ccc(Br)cc2)C1c1ccccc1Cl.

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

The InChIKey is XFOGNIMSZYVGCX-XKZIYDEJSA-N. The full InChI is InChI=1S/C28H17BrCl2N4O2S/c29-16-9-11-17(12-10-16)34-26(36)24-23(18-6-2-4-8-21(18)31)19(14-32)25(33)35-27(37)22(38-28(24)35)13-15-5-1-3-7-20(15)30/h1-13,23H,33H2,(H,34,36)/b22-13-.

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

(2Z)-5-amino-N-(4-bromophenyl)-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 624.35 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-5-amino-N-(4-bromophenyl)-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 17273177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).