(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine

C18H18F2N2O2S — CID 89095299

IUPAC(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine
SMILESC[C@@]1(c2ccc(F)cc2F)CS(=O)(=O)[C@@](C)(c2ccccc2)C(N)=N1
InChIInChI=1S/C18H18F2N2O2S/c1-17(14-9-8-13(19)10-15(14)20)11-25(23,24)18(2,16(21)22-17)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,21,22)/t17-,18-/m0/s1
InChIKeyZGFPPTZGHLBQOT-ROUUACIJSA-N
MW364.42 g/mol
LogP2.88
Rot. Bonds2

About (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine

(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine (PubChem CID 89095299) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine
PubChem CID89095299
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine
SMILESC[C@@]1(c2ccc(F)cc2F)CS(=O)(=O)[C@@](C)(c2ccccc2)C(N)=N1
InChIInChI=1S/C18H18F2N2O2S/c1-17(14-9-8-13(19)10-15(14)20)11-25(23,24)18(2,16(21)22-17)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,21,22)/t17-,18-/m0/s1
InChIKeyZGFPPTZGHLBQOT-ROUUACIJSA-N
XLogP2.88
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine?
The IUPAC name of (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine (CID 89095299) is (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine.
What is the SMILES notation for (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine?
The canonical SMILES for (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine is C[C@@]1(c2ccc(F)cc2F)CS(=O)(=O)[C@@](C)(c2ccccc2)C(N)=N1.
What is the InChIKey of (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine?
The InChIKey is ZGFPPTZGHLBQOT-ROUUACIJSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c1-17(14-9-8-13(19)10-15(14)20)11-25(23,24)18(2,16(21)22-17)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,21,22)/t17-,18-/m0/s1.
What are the key properties of (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine?
(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine has a molecular weight of 364.42 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 89095299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).