3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine

C11H14FN2O2PS — CID 126633718

IUPAC3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1C(N)=NC(c2ccc(P)cc2F)CS1(=O)=O
InChIInChI=1S/C11H14FN2O2PS/c1-6-11(13)14-10(5-18(6,15)16)8-3-2-7(17)4-9(8)12/h2-4,6,10H,5,17H2,1H3,(H2,13,14)
InChIKeyNVDFVLBCZFNRTR-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.54
Rot. Bonds1

About 3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine

3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine (PubChem CID 126633718) has the molecular formula C11H14FN2O2PS and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
PubChem CID126633718
Molecular FormulaC11H14FN2O2PS
Molecular Weight288.28 g/mol
Exact Mass288.05
IUPAC Name3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1C(N)=NC(c2ccc(P)cc2F)CS1(=O)=O
InChIInChI=1S/C11H14FN2O2PS/c1-6-11(13)14-10(5-18(6,15)16)8-3-2-7(17)4-9(8)12/h2-4,6,10H,5,17H2,1H3,(H2,13,14)
InChIKeyNVDFVLBCZFNRTR-UHFFFAOYSA-N
XLogP0.54
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The IUPAC name of 3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine (CID 126633718) is 3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine.
What is the SMILES notation for 3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The canonical SMILES for 3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine is CC1C(N)=NC(c2ccc(P)cc2F)CS1(=O)=O.
What is the InChIKey of 3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The InChIKey is NVDFVLBCZFNRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN2O2PS/c1-6-11(13)14-10(5-18(6,15)16)8-3-2-7(17)4-9(8)12/h2-4,6,10H,5,17H2,1H3,(H2,13,14).
What are the key properties of 3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine has a molecular weight of 288.28 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 126633718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).