6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile

C20H19F2N5O2S — CID 135125745

IUPAC6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile
SMILESCc1cc(C#N)cnc1/C(F)=C/c1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1
InChIInChI=1S/C20H19F2N5O2S/c1-12-6-14(9-23)10-25-18(12)17(22)8-13-4-5-16(21)15(7-13)20(2)11-30(28,29)27(3)19(24)26-20/h4-8,10H,11H2,1-3H3,(H2,24,26)/b17-8-/t20-/m0/s1
InChIKeyJGFHZPDIRDNOAS-MBNKTHEGSA-N
MW431.47 g/mol
LogP2.67
Rot. Bonds3

About 6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile

6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile (PubChem CID 135125745) has the molecular formula C20H19F2N5O2S and a molecular weight of 431.47 g/mol. Its IUPAC name is 6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile
PubChem CID135125745
Molecular FormulaC20H19F2N5O2S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC Name6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile
SMILESCc1cc(C#N)cnc1/C(F)=C/c1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1
InChIInChI=1S/C20H19F2N5O2S/c1-12-6-14(9-23)10-25-18(12)17(22)8-13-4-5-16(21)15(7-13)20(2)11-30(28,29)27(3)19(24)26-20/h4-8,10H,11H2,1-3H3,(H2,24,26)/b17-8-/t20-/m0/s1
InChIKeyJGFHZPDIRDNOAS-MBNKTHEGSA-N
XLogP2.67
TPSA112.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile with MolForge

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Related Compounds

CID 155526564
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CID 135125833
CID 135126403
CID 135126403
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CID 168275111
CID 71532119
CID 71532119
CID 76284128
CID 76284128
CID 76284129
CID 76284129
CID 76284653
CID 76284653
CID 76284654
CID 76284654
CID 89095041
CID 89095041
CID 135124957
CID 135124957

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile (CID 135125745) is 6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile is Cc1cc(C#N)cnc1/C(F)=C/c1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1.
What is the InChIKey of 6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile?
The InChIKey is JGFHZPDIRDNOAS-MBNKTHEGSA-N. The full InChI is InChI=1S/C20H19F2N5O2S/c1-12-6-14(9-23)10-25-18(12)17(22)8-13-4-5-16(21)15(7-13)20(2)11-30(28,29)27(3)19(24)26-20/h4-8,10H,11H2,1-3H3,(H2,24,26)/b17-8-/t20-/m0/s1.
What are the key properties of 6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile?
6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile has a molecular weight of 431.47 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 135125745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).