6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile

C22H14N4O3S — CID 23966095

IUPAC6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
SMILESN#CC1=C(N)N2C(=O)C=C(c3ccc(O)cc3)SC2=C(C#N)C1c1ccc(O)cc1
InChIInChI=1S/C22H14N4O3S/c23-10-16-20(13-3-7-15(28)8-4-13)17(11-24)22-26(21(16)25)19(29)9-18(30-22)12-1-5-14(27)6-2-12/h1-9,20,27-28H,25H2
InChIKeyGDCNQXAVOSAZBX-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.24
Rot. Bonds2

About 6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile

6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile (PubChem CID 23966095) has the molecular formula C22H14N4O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile.

Molecular Properties

Compound Name6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
PubChem CID23966095
Molecular FormulaC22H14N4O3S
Molecular Weight414.45 g/mol
Exact Mass414.08
IUPAC Name6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
SMILESN#CC1=C(N)N2C(=O)C=C(c3ccc(O)cc3)SC2=C(C#N)C1c1ccc(O)cc1
InChIInChI=1S/C22H14N4O3S/c23-10-16-20(13-3-7-15(28)8-4-13)17(11-24)22-26(21(16)25)19(29)9-18(30-22)12-1-5-14(27)6-2-12/h1-9,20,27-28H,25H2
InChIKeyGDCNQXAVOSAZBX-UHFFFAOYSA-N
XLogP3.24
TPSA134.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile?
The IUPAC name of 6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile (CID 23966095) is 6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile.
What is the SMILES notation for 6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile?
The canonical SMILES for 6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile is N#CC1=C(N)N2C(=O)C=C(c3ccc(O)cc3)SC2=C(C#N)C1c1ccc(O)cc1.
What is the InChIKey of 6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile?
The InChIKey is GDCNQXAVOSAZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O3S/c23-10-16-20(13-3-7-15(28)8-4-13)17(11-24)22-26(21(16)25)19(29)9-18(30-22)12-1-5-14(27)6-2-12/h1-9,20,27-28H,25H2.
What are the key properties of 6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile?
6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile has a molecular weight of 414.45 g/mol, XLogP of 3.24, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,8-bis(4-hydroxyphenyl)-4-oxo-8H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile is sourced from PubChem (CID 23966095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).