(3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

C21H20F2N4O3S — CID 66563502

IUPAC(3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2cc(-c3cc(F)cc(-c4nnco4)c3)ccc2F)CS1(=O)=O
InChIInChI=1S/C21H20F2N4O3S/c1-20(2)19(24)26-21(3,10-31(20,28)29)16-9-12(4-5-17(16)23)13-6-14(8-15(22)7-13)18-27-25-11-30-18/h4-9,11H,10H2,1-3H3,(H2,24,26)/t21-/m0/s1
InChIKeyDGBRZIWWMKKRCQ-NRFANRHFSA-N
MW446.48 g/mol
LogP3.46
Rot. Bonds3

About (3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

(3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 66563502) has the molecular formula C21H20F2N4O3S and a molecular weight of 446.48 g/mol. Its IUPAC name is (3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
PubChem CID66563502
Molecular FormulaC21H20F2N4O3S
Molecular Weight446.48 g/mol
Exact Mass446.12
IUPAC Name(3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2cc(-c3cc(F)cc(-c4nnco4)c3)ccc2F)CS1(=O)=O
InChIInChI=1S/C21H20F2N4O3S/c1-20(2)19(24)26-21(3,10-31(20,28)29)16-9-12(4-5-17(16)23)13-6-14(8-15(22)7-13)18-27-25-11-30-18/h4-9,11H,10H2,1-3H3,(H2,24,26)/t21-/m0/s1
InChIKeyDGBRZIWWMKKRCQ-NRFANRHFSA-N
XLogP3.46
TPSA111.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The IUPAC name of (3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 66563502) is (3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.
What is the SMILES notation for (3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The canonical SMILES for (3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is CC1(C)C(N)=N[C@](C)(c2cc(-c3cc(F)cc(-c4nnco4)c3)ccc2F)CS1(=O)=O.
What is the InChIKey of (3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The InChIKey is DGBRZIWWMKKRCQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20F2N4O3S/c1-20(2)19(24)26-21(3,10-31(20,28)29)16-9-12(4-5-17(16)23)13-6-14(8-15(22)7-13)18-27-25-11-30-18/h4-9,11H,10H2,1-3H3,(H2,24,26)/t21-/m0/s1.
What are the key properties of (3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
(3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 446.48 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-fluoro-5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 66563502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).