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

C20H16FN3OS — CID 20857830

IUPAC3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
SMILESN#CC1=C2SCN(c3ccccc3F)CN2C(=O)CC1c1ccccc1
InChIInChI=1S/C20H16FN3OS/c21-17-8-4-5-9-18(17)23-12-24-19(25)10-15(14-6-2-1-3-7-14)16(11-22)20(24)26-13-23/h1-9,15H,10,12-13H2
InChIKeyUESQJBUUKLBFCV-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.05
Rot. Bonds2

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

3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (PubChem CID 20857830) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
PubChem CID20857830
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC Name3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
SMILESN#CC1=C2SCN(c3ccccc3F)CN2C(=O)CC1c1ccccc1
InChIInChI=1S/C20H16FN3OS/c21-17-8-4-5-9-18(17)23-12-24-19(25)10-15(14-6-2-1-3-7-14)16(11-22)20(24)26-13-23/h1-9,15H,10,12-13H2
InChIKeyUESQJBUUKLBFCV-UHFFFAOYSA-N
XLogP4.05
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-Fluorophenyl)-3-(4-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
CID 5308664
8-(4-Ethylphenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
CID 5308938
8-(2,6-Dichlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
CID 5309561
3-benzyl-8-(2-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
CID 4892641
8-(2-Chlorophenyl)-6-oxo-3-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
CID 5308643
3-(2-Ethylphenyl)-8-(2-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
CID 5309816
3-(4-fluorophenyl)-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
CID 4890809
3-benzyl-8-(3-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
CID 4895775
3-(2-Fluorophenyl)-8-(2-methylphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-B][1,3,5]thiadiazine-9-carbonitrile
CID 20857681
3-(3-Chlorophenyl)-8-(4-fluorophenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-B][1,3,5]thiadiazine-9-carbonitrile
CID 20857697
8-(4-fluorophenyl)-3-(2-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
CID 20857699
8-(4-fluorophenyl)-3-(3-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
CID 20857700

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The IUPAC name of 3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CID 20857830) is 3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
What is the SMILES notation for 3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The canonical SMILES for 3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is N#CC1=C2SCN(c3ccccc3F)CN2C(=O)CC1c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The InChIKey is UESQJBUUKLBFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c21-17-8-4-5-9-18(17)23-12-24-19(25)10-15(14-6-2-1-3-7-14)16(11-22)20(24)26-13-23/h1-9,15H,10,12-13H2.
What are the key properties of 3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile has a molecular weight of 365.43 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is sourced from PubChem (CID 20857830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).