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

C28H19BrN4O4S — CID 17273182

IUPAC(2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESN#CC1=C(N)n2c(s/c(=C\c3ccc(O)cc3)c2=O)=C(C(=O)Nc2ccc(Br)cc2)C1c1ccc(O)cc1
InChIInChI=1S/C28H19BrN4O4S/c29-17-5-7-18(8-6-17)32-26(36)24-23(16-3-11-20(35)12-4-16)21(14-30)25(31)33-27(37)22(38-28(24)33)13-15-1-9-19(34)10-2-15/h1-13,23,34-35H,31H2,(H,32,36)/b22-13-
InChIKeyPFYQGSYTILYHQG-XKZIYDEJSA-N
MW587.46 g/mol
LogP3.15
Rot. Bonds4

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

(2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 17273182) has the molecular formula C28H19BrN4O4S and a molecular weight of 587.46 g/mol. Its IUPAC name is (2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name(2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
PubChem CID17273182
Molecular FormulaC28H19BrN4O4S
Molecular Weight587.46 g/mol
Exact Mass586.03
IUPAC Name(2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESN#CC1=C(N)n2c(s/c(=C\c3ccc(O)cc3)c2=O)=C(C(=O)Nc2ccc(Br)cc2)C1c1ccc(O)cc1
InChIInChI=1S/C28H19BrN4O4S/c29-17-5-7-18(8-6-17)32-26(36)24-23(16-3-11-20(35)12-4-16)21(14-30)25(31)33-27(37)22(38-28(24)33)13-15-1-9-19(34)10-2-15/h1-13,23,34-35H,31H2,(H,32,36)/b22-13-
InChIKeyPFYQGSYTILYHQG-XKZIYDEJSA-N
XLogP3.15
TPSA141.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.46
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The IUPAC name of (2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 17273182) is (2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.
What is the SMILES notation for (2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The canonical SMILES for (2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is N#CC1=C(N)n2c(s/c(=C\c3ccc(O)cc3)c2=O)=C(C(=O)Nc2ccc(Br)cc2)C1c1ccc(O)cc1.
What is the InChIKey of (2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The InChIKey is PFYQGSYTILYHQG-XKZIYDEJSA-N. The full InChI is InChI=1S/C28H19BrN4O4S/c29-17-5-7-18(8-6-17)32-26(36)24-23(16-3-11-20(35)12-4-16)21(14-30)25(31)33-27(37)22(38-28(24)33)13-15-1-9-19(34)10-2-15/h1-13,23,34-35H,31H2,(H,32,36)/b22-13-.
What are the key properties of (2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
(2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 587.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-amino-N-(4-bromophenyl)-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 17273182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).