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

C18H17N3O4S — CID 17273411

IUPACmethyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate
SMILESCOC(=O)C1=C(N)N2C(=O)CCSC2=C(C#N)C1c1cccc(OC)c1
InChIInChI=1S/C18H17N3O4S/c1-24-11-5-3-4-10(8-11)14-12(9-19)17-21(13(22)6-7-26-17)16(20)15(14)18(23)25-2/h3-5,8,14H,6-7,20H2,1-2H3
InChIKeyRXRRABCTZOIBEU-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.84
Rot. Bonds3

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

methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate (PubChem CID 17273411) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate
PubChem CID17273411
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Namemethyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate
SMILESCOC(=O)C1=C(N)N2C(=O)CCSC2=C(C#N)C1c1cccc(OC)c1
InChIInChI=1S/C18H17N3O4S/c1-24-11-5-3-4-10(8-11)14-12(9-19)17-21(13(22)6-7-26-17)16(20)15(14)18(23)25-2/h3-5,8,14H,6-7,20H2,1-2H3
InChIKeyRXRRABCTZOIBEU-UHFFFAOYSA-N
XLogP1.84
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 9-amino-6-cyano-7-(3-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273373
(7R)-5-amino-7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbonitrile
CID 132545559
methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273350
6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
CID 17273393
(7S)-9-amino-7-(3-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile
CID 7347031
dimethyl 6-amino-5-cyano-1-[4-(3-methoxyphenoxy)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641735
8-O-ethyl 6-O-methyl 5-amino-7-(3-methoxyphenyl)-2-methyl-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
CID 17272840
dimethyl 6-amino-5-cyano-1-(4-methoxy-2-methoxycarbonylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641452
N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide
CID 23969977
ethyl (4R)-6-amino-5-cyano-4-(3-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 914620
methyl 2-[(2S,7R)-5-amino-8-(benzylcarbamoyl)-6-cyano-7-(3-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
CID 2720463
(4R)-2-amino-1-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 7027904

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate?
The IUPAC name of methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate (CID 17273411) is methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate.
What is the SMILES notation for methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate?
The canonical SMILES for methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate is COC(=O)C1=C(N)N2C(=O)CCSC2=C(C#N)C1c1cccc(OC)c1.
What is the InChIKey of methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate?
The InChIKey is RXRRABCTZOIBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-24-11-5-3-4-10(8-11)14-12(9-19)17-21(13(22)6-7-26-17)16(20)15(14)18(23)25-2/h3-5,8,14H,6-7,20H2,1-2H3.
What are the key properties of methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate?
methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate has a molecular weight of 371.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate is sourced from PubChem (CID 17273411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).