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

C20H18N4O4S — CID 4063488

IUPACmethyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate
SMILESCOC(=O)C1=CC(=O)N2C(N)=C(C#N)C(c3ccccc3)C(C(=O)N(C)C)=C2S1
InChIInChI=1S/C20H18N4O4S/c1-23(2)18(26)16-15(11-7-5-4-6-8-11)12(10-21)17(22)24-14(25)9-13(20(27)28-3)29-19(16)24/h4-9,15H,22H2,1-3H3
InChIKeyJWLSYCMRYIJGLO-UHFFFAOYSA-N
MW410.46 g/mol
LogP1.41
Rot. Bonds3

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

methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate (PubChem CID 4063488) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate
PubChem CID4063488
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Namemethyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate
SMILESCOC(=O)C1=CC(=O)N2C(N)=C(C#N)C(c3ccccc3)C(C(=O)N(C)C)=C2S1
InChIInChI=1S/C20H18N4O4S/c1-23(2)18(26)16-15(11-7-5-4-6-8-11)12(10-21)17(22)24-14(25)9-13(20(27)28-3)29-19(16)24/h4-9,15H,22H2,1-3H3
InChIKeyJWLSYCMRYIJGLO-UHFFFAOYSA-N
XLogP1.41
TPSA116.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate?
The IUPAC name of methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate (CID 4063488) is methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate?
The canonical SMILES for methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate is COC(=O)C1=CC(=O)N2C(N)=C(C#N)C(c3ccccc3)C(C(=O)N(C)C)=C2S1.
What is the InChIKey of methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate?
The InChIKey is JWLSYCMRYIJGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-23(2)18(26)16-15(11-7-5-4-6-8-11)12(10-21)17(22)24-14(25)9-13(20(27)28-3)29-19(16)24/h4-9,15H,22H2,1-3H3.
What are the key properties of methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate?
methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate has a molecular weight of 410.46 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate is sourced from PubChem (CID 4063488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).