8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C20H16ClN3OS — CID 5308643

IUPAC8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
SMILESN#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1ccccc1Cl
InChIInChI=1S/C20H16ClN3OS/c21-18-9-5-4-8-15(18)16-10-19(25)24-12-23(14-6-2-1-3-7-14)13-26-20(24)17(16)11-22/h1-9,16H,10,12-13H2
InChIKeyALOUOICPOXTRCA-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.56
Rot. Bonds2

About 8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (PubChem CID 5308643) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.

Molecular Properties

Compound Name8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
PubChem CID5308643
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC Name8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
SMILESN#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1ccccc1Cl
InChIInChI=1S/C20H16ClN3OS/c21-18-9-5-4-8-15(18)16-10-19(25)24-12-23(14-6-2-1-3-7-14)13-26-20(24)17(16)11-22/h1-9,16H,10,12-13H2
InChIKeyALOUOICPOXTRCA-UHFFFAOYSA-N
XLogP4.56
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile 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 8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The IUPAC name of 8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CID 5308643) is 8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
What is the SMILES notation for 8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The canonical SMILES for 8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1ccccc1Cl.
What is the InChIKey of 8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The InChIKey is ALOUOICPOXTRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c21-18-9-5-4-8-15(18)16-10-19(25)24-12-23(14-6-2-1-3-7-14)13-26-20(24)17(16)11-22/h1-9,16H,10,12-13H2.
What are the key properties of 8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile has a molecular weight of 381.89 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is sourced from PubChem (CID 5308643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).