(1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine

C23H27FN6O2S — CID 140846133

IUPAC(1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine
SMILES[2H]C([2H])([2H])N=[S@@]1(=O)C[C@@](C)(c2cc(-c3cc(-c4cnc(CC)cn4)no3)ccc2F)N=C(N)C1(C)C
InChIInChI=1S/C23H27FN6O2S/c1-6-15-11-28-19(12-27-15)18-10-20(32-30-18)14-7-8-17(24)16(9-14)23(4)13-33(31,26-5)22(2,3)21(25)29-23/h7-12H,6,13H2,1-5H3,(H2,25,29)/t23-,33+/m0/s1/i5D3
InChIKeyIMDXLANRYZZJTH-DYYADIMCSA-N
MW473.59 g/mol
LogP3.96
Rot. Bonds5

About (1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine

(1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine (PubChem CID 140846133) has the molecular formula C23H27FN6O2S and a molecular weight of 473.59 g/mol. Its IUPAC name is (1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine
PubChem CID140846133
Molecular FormulaC23H27FN6O2S
Molecular Weight473.59 g/mol
Exact Mass473.21
IUPAC Name(1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine
SMILES[2H]C([2H])([2H])N=[S@@]1(=O)C[C@@](C)(c2cc(-c3cc(-c4cnc(CC)cn4)no3)ccc2F)N=C(N)C1(C)C
InChIInChI=1S/C23H27FN6O2S/c1-6-15-11-28-19(12-27-15)18-10-20(32-30-18)14-7-8-17(24)16(9-14)23(4)13-33(31,26-5)22(2,3)21(25)29-23/h7-12H,6,13H2,1-5H3,(H2,25,29)/t23-,33+/m0/s1/i5D3
InChIKeyIMDXLANRYZZJTH-DYYADIMCSA-N
XLogP3.96
TPSA119.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine?
The IUPAC name of (1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine (CID 140846133) is (1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine.
What is the SMILES notation for (1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine?
The canonical SMILES for (1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine is [2H]C([2H])([2H])N=[S@@]1(=O)C[C@@](C)(c2cc(-c3cc(-c4cnc(CC)cn4)no3)ccc2F)N=C(N)C1(C)C.
What is the InChIKey of (1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine?
The InChIKey is IMDXLANRYZZJTH-DYYADIMCSA-N. The full InChI is InChI=1S/C23H27FN6O2S/c1-6-15-11-28-19(12-27-15)18-10-20(32-30-18)14-7-8-17(24)16(9-14)23(4)13-33(31,26-5)22(2,3)21(25)29-23/h7-12H,6,13H2,1-5H3,(H2,25,29)/t23-,33+/m0/s1/i5D3.
What are the key properties of (1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine?
(1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine has a molecular weight of 473.59 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-[5-[3-(5-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-3,6,6-trimethyl-1-oxo-1-(trideuteriomethylimino)-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 140846133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).