ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

C20H16FN3O5S — CID 3463347

IUPACethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)C1=c2sc(=CC(=O)OC)c(=O)n2C(N)=C(C#N)C1c1ccccc1F
InChIInChI=1S/C20H16FN3O5S/c1-3-29-20(27)16-15(10-6-4-5-7-12(10)21)11(9-22)17(23)24-18(26)13(30-19(16)24)8-14(25)28-2/h4-8,15H,3,23H2,1-2H3
InChIKeyLXUHAESPOMPBDM-UHFFFAOYSA-N
MW429.43 g/mol
LogP0.16
Rot. Bonds4

About ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate (PubChem CID 3463347) has the molecular formula C20H16FN3O5S and a molecular weight of 429.43 g/mol. Its IUPAC name is ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
PubChem CID3463347
Molecular FormulaC20H16FN3O5S
Molecular Weight429.43 g/mol
Exact Mass429.08
IUPAC Nameethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)C1=c2sc(=CC(=O)OC)c(=O)n2C(N)=C(C#N)C1c1ccccc1F
InChIInChI=1S/C20H16FN3O5S/c1-3-29-20(27)16-15(10-6-4-5-7-12(10)21)11(9-22)17(23)24-18(26)13(30-19(16)24)8-14(25)28-2/h4-8,15H,3,23H2,1-2H3
InChIKeyLXUHAESPOMPBDM-UHFFFAOYSA-N
XLogP0.16
TPSA124.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate with MolForge

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Related Compounds

ethyl (2Z)-5-amino-7-(2-chlorophenyl)-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane
CID 53277702
ethyl (2Z)-5-amino-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane
CID 53277748
methyl (2Z)-2-[(7S)-5-amino-6-cyano-7-(2-fluorophenyl)-8-(naphthalen-2-ylcarbamoyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate
CID 2716329
ethyl (2E,7R)-5-amino-6-cyano-7-(2-iodophenyl)-2-[(2-iodophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 40734986
methyl (2Z)-2-[5-amino-8-(benzylcarbamoyl)-6-cyano-7-(4-fluorophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate
CID 6522560
5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 3806267
methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-(dimethylcarbamoyl)-7-(4-fluorophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate
CID 6558379
methyl (7S)-5-amino-7-(2-bromophenyl)-2-[(2-bromophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 129442787
methyl (2E,7R)-5-amino-6-cyano-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 1215673
methyl (2Z)-2-[(7S)-5-amino-6-cyano-8-(methylcarbamoyl)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate
CID 2720346
methyl (2E)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 5287003
methane;methyl (2Z)-2-[5-amino-6-cyano-8-(methylcarbamoyl)-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate
CID 53277730

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate (CID 3463347) is ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is CCOC(=O)C1=c2sc(=CC(=O)OC)c(=O)n2C(N)=C(C#N)C1c1ccccc1F.
What is the InChIKey of ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
The InChIKey is LXUHAESPOMPBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O5S/c1-3-29-20(27)16-15(10-6-4-5-7-12(10)21)11(9-22)17(23)24-18(26)13(30-19(16)24)8-14(25)28-2/h4-8,15H,3,23H2,1-2H3.
What are the key properties of ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate has a molecular weight of 429.43 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-6-cyano-7-(2-fluorophenyl)-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 3463347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).