9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile

C20H11FN4OS — CID 5301314

IUPAC9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile
SMILESN#CC1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)C1c1ccccc1F
InChIInChI=1S/C20H11FN4OS/c21-15-7-3-1-5-11(15)17-13(9-22)18(24)25-19(26)12-6-2-4-8-16(12)27-20(25)14(17)10-23/h1-8,17H,24H2
InChIKeyIYBHCTDHAYRHLQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.60
Rot. Bonds1

About 9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile

9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile (PubChem CID 5301314) has the molecular formula C20H11FN4OS and a molecular weight of 374.40 g/mol. Its IUPAC name is 9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile.

Molecular Properties

Compound Name9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile
PubChem CID5301314
Molecular FormulaC20H11FN4OS
Molecular Weight374.40 g/mol
Exact Mass374.06
IUPAC Name9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile
SMILESN#CC1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)C1c1ccccc1F
InChIInChI=1S/C20H11FN4OS/c21-15-7-3-1-5-11(15)17-13(9-22)18(24)25-19(26)12-6-2-4-8-16(12)27-20(25)14(17)10-23/h1-8,17H,24H2
InChIKeyIYBHCTDHAYRHLQ-UHFFFAOYSA-N
XLogP3.60
TPSA93.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile with MolForge

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Related Compounds

ethyl 9-amino-6-cyano-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273372
(7R)-9-amino-11-oxo-7-(3,4,5-trimethoxyphenyl)-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile
CID 41177768
(7S)-9-amino-7-(3-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile
CID 7347031
methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273350
ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273371
ethyl 9-amino-6-cyano-7-(3-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273373
(3S)-1-amino-3-pyridin-4-yl-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
CID 867906
(4S)-2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 714325
2-amino-1-(dimethylamino)-4-(2-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4003809
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
2-amino-4-(2-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 2838856
1-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
CID 3967590

Frequently Asked Questions

What is the IUPAC name of 9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile?
The IUPAC name of 9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile (CID 5301314) is 9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile.
What is the SMILES notation for 9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile?
The canonical SMILES for 9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile is N#CC1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)C1c1ccccc1F.
What is the InChIKey of 9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile?
The InChIKey is IYBHCTDHAYRHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11FN4OS/c21-15-7-3-1-5-11(15)17-13(9-22)18(24)25-19(26)12-6-2-4-8-16(12)27-20(25)14(17)10-23/h1-8,17H,24H2.
What are the key properties of 9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile?
9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile has a molecular weight of 374.40 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile is sourced from PubChem (CID 5301314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).