methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate

C22H22N4O6S — CID 4563983

IUPACmethyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate
SMILESCOC(=O)C1=CC(=O)N2C(N)=C(C#N)C(c3ccc(OC)cc3OC)C(C(=O)N(C)C)=C2S1
InChIInChI=1S/C22H22N4O6S/c1-25(2)20(28)18-17(12-7-6-11(30-3)8-14(12)31-4)13(10-23)19(24)26-16(27)9-15(22(29)32-5)33-21(18)26/h6-9,17H,24H2,1-5H3
InChIKeyTZXZSUANRIUWOS-UHFFFAOYSA-N
MW470.51 g/mol
LogP1.43
Rot. Bonds5

About methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate

methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate (PubChem CID 4563983) has the molecular formula C22H22N4O6S and a molecular weight of 470.51 g/mol. Its IUPAC name is methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate
PubChem CID4563983
Molecular FormulaC22H22N4O6S
Molecular Weight470.51 g/mol
Exact Mass470.13
IUPAC Namemethyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate
SMILESCOC(=O)C1=CC(=O)N2C(N)=C(C#N)C(c3ccc(OC)cc3OC)C(C(=O)N(C)C)=C2S1
InChIInChI=1S/C22H22N4O6S/c1-25(2)20(28)18-17(12-7-6-11(30-3)8-14(12)31-4)13(10-23)19(24)26-16(27)9-15(22(29)32-5)33-21(18)26/h6-9,17H,24H2,1-5H3
InChIKeyTZXZSUANRIUWOS-UHFFFAOYSA-N
XLogP1.43
TPSA135.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate with MolForge

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Related Compounds

9-O-ethyl 2-O-methyl (8S)-6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2,9-dicarboxylate
CID 2722084
9-O-ethyl 2-O-methyl (8R)-6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2,9-dicarboxylate
CID 2722085
methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate
CID 4063488
methyl 6-amino-7-cyano-9-[(3,4-dimethylphenyl)carbamoyl]-8-(4-fluorophenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate
CID 4108544
methyl 2-[5-amino-8-(benzylcarbamoyl)-6-cyano-7-(2,4-dimethoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
CID 3264881
methyl 6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-ethyl-4H-pyran-3-carboxylate
CID 3773376
methyl 2-[(2R,7R)-5-amino-6-cyano-7-(2,4-dimethoxyphenyl)-8-[(3-methylphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
CID 2720477
ethyl (4S)-6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 777256
(2E,7R)-5-amino-7-(2,4-dimethoxyphenyl)-2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
CID 93029319
dimethyl 6-amino-5-cyano-1-[3-(2,4-dimethoxyphenyl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644387
[2-amino-3-cyano-4-(2,4-dimethoxyphenyl)-4H-chromen-7-yl] 4-tert-butylbenzoate
CID 19122385
[2-amino-3-cyano-4-(2,4-dimethoxyphenyl)-4H-chromen-7-yl] thiophene-2-carboxylate
CID 19122410

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate?
The IUPAC name of methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate (CID 4563983) is methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate?
The canonical SMILES for methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate is COC(=O)C1=CC(=O)N2C(N)=C(C#N)C(c3ccc(OC)cc3OC)C(C(=O)N(C)C)=C2S1.
What is the InChIKey of methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate?
The InChIKey is TZXZSUANRIUWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6S/c1-25(2)20(28)18-17(12-7-6-11(30-3)8-14(12)31-4)13(10-23)19(24)26-16(27)9-15(22(29)32-5)33-21(18)26/h6-9,17H,24H2,1-5H3.
What are the key properties of methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate?
methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate has a molecular weight of 470.51 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-7-cyano-8-(2,4-dimethoxyphenyl)-9-(dimethylcarbamoyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate is sourced from PubChem (CID 4563983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).