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

C19H16ClF2N5O2S — CID 135125685

IUPAC2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile
SMILESCN1C(N)=N[C@](C)(c2cc(/C=C(\F)c3cc(C#N)c(Cl)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H16ClF2N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-11(3-4-15(13)21)6-16(22)17-7-12(8-23)14(20)9-25-17/h3-7,9H,10H2,1-2H3,(H2,24,26)/b16-6-/t19-/m0/s1
InChIKeyZYYATMZPSJFYHR-ICRRLBEQSA-N
MW451.89 g/mol
LogP3.02
Rot. Bonds3

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

2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile (PubChem CID 135125685) has the molecular formula C19H16ClF2N5O2S and a molecular weight of 451.89 g/mol. Its IUPAC name is 2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile
PubChem CID135125685
Molecular FormulaC19H16ClF2N5O2S
Molecular Weight451.89 g/mol
Exact Mass451.07
IUPAC Name2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile
SMILESCN1C(N)=N[C@](C)(c2cc(/C=C(\F)c3cc(C#N)c(Cl)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H16ClF2N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-11(3-4-15(13)21)6-16(22)17-7-12(8-23)14(20)9-25-17/h3-7,9H,10H2,1-2H3,(H2,24,26)/b16-6-/t19-/m0/s1
InChIKeyZYYATMZPSJFYHR-ICRRLBEQSA-N
XLogP3.02
TPSA112.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile
CID 135125833
(5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-isoquinolin-3-ylethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 135126134
6-[(Z)-2-[3-[(5R)-3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-4-fluoropyridine-3-carbonitrile
CID 135125783
(5R)-5-[5-[(Z)-2-(5-bromo-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 135126437
(5R)-5-[5-[(Z)-2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 135125777
(5R)-5-[5-[(Z)-2-(5-but-2-ynoxypyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 135126298
(5R)-5-[5-[(Z)-2-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl)-2-fluoroethenyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 135125928
4-[5-[2-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-1-fluoroethenyl]pyrazin-2-yl]oxybut-2-yn-1-ol
CID 135125373
6-[(Z)-2-[3-[(5R)-3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-3-carbonitrile
CID 135125450
6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-1-fluoroethenyl]-5-chloropyridine-3-carbonitrile
CID 135125921
(5R)-5-[5-[(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroethenyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 135125722
5-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroethenyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 135125724

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile?
The IUPAC name of 2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile (CID 135125685) is 2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile is CN1C(N)=N[C@](C)(c2cc(/C=C(\F)c3cc(C#N)c(Cl)cn3)ccc2F)CS1(=O)=O.
What is the InChIKey of 2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile?
The InChIKey is ZYYATMZPSJFYHR-ICRRLBEQSA-N. The full InChI is InChI=1S/C19H16ClF2N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-11(3-4-15(13)21)6-16(22)17-7-12(8-23)14(20)9-25-17/h3-7,9H,10H2,1-2H3,(H2,24,26)/b16-6-/t19-/m0/s1.
What are the key properties of 2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile?
2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile has a molecular weight of 451.89 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-4-carbonitrile is sourced from PubChem (CID 135125685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).