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

C22H12Cl4N4O2S — CID 4268438

IUPAC5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESN#CC1=C(N)n2c(sc(=Cc3ccc(Cl)cc3Cl)c2=O)=C(C(N)=O)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H12Cl4N4O2S/c23-10-2-1-9(14(25)6-10)5-16-21(32)30-19(28)13(8-27)17(18(20(29)31)22(30)33-16)12-4-3-11(24)7-15(12)26/h1-7,17H,28H2,(H2,29,31)
InChIKeyFRHBCCNGPCQBTD-UHFFFAOYSA-N
MW538.24 g/mol
LogP3.44
Rot. Bonds3

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

5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 4268438) has the molecular formula C22H12Cl4N4O2S and a molecular weight of 538.24 g/mol. Its IUPAC name is 5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
PubChem CID4268438
Molecular FormulaC22H12Cl4N4O2S
Molecular Weight538.24 g/mol
Exact Mass535.94
IUPAC Name5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESN#CC1=C(N)n2c(sc(=Cc3ccc(Cl)cc3Cl)c2=O)=C(C(N)=O)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H12Cl4N4O2S/c23-10-2-1-9(14(25)6-10)5-16-21(32)30-19(28)13(8-27)17(18(20(29)31)22(30)33-16)12-4-3-11(24)7-15(12)26/h1-7,17H,28H2,(H2,29,31)
InChIKeyFRHBCCNGPCQBTD-UHFFFAOYSA-N
XLogP3.44
TPSA114.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.24
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The IUPAC name of 5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 4268438) is 5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The canonical SMILES for 5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is N#CC1=C(N)n2c(sc(=Cc3ccc(Cl)cc3Cl)c2=O)=C(C(N)=O)C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The InChIKey is FRHBCCNGPCQBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl4N4O2S/c23-10-2-1-9(14(25)6-10)5-16-21(32)30-19(28)13(8-27)17(18(20(29)31)22(30)33-16)12-4-3-11(24)7-15(12)26/h1-7,17H,28H2,(H2,29,31).
What are the key properties of 5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 538.24 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-cyano-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 4268438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).