N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide

C15H17F4N3O3S — CID 89094947

IUPACN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)C(F)F)cc(F)c2F)CS1(=O)=O
InChIInChI=1S/C15H17F4N3O3S/c1-14(2)13(20)22-15(3,6-26(14,24)25)8-4-7(5-9(16)10(8)17)21-12(23)11(18)19/h4-5,11H,6H2,1-3H3,(H2,20,22)(H,21,23)/t15-/m0/s1
InChIKeyGROCMHLUXPORAE-HNNXBMFYSA-N
MW395.38 g/mol
LogP1.95
Rot. Bonds3

About N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide

N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide (PubChem CID 89094947) has the molecular formula C15H17F4N3O3S and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide
PubChem CID89094947
Molecular FormulaC15H17F4N3O3S
Molecular Weight395.38 g/mol
Exact Mass395.09
IUPAC NameN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)C(F)F)cc(F)c2F)CS1(=O)=O
InChIInChI=1S/C15H17F4N3O3S/c1-14(2)13(20)22-15(3,6-26(14,24)25)8-4-7(5-9(16)10(8)17)21-12(23)11(18)19/h4-5,11H,6H2,1-3H3,(H2,20,22)(H,21,23)/t15-/m0/s1
InChIKeyGROCMHLUXPORAE-HNNXBMFYSA-N
XLogP1.95
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide?
The IUPAC name of N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide (CID 89094947) is N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide is CC1(C)C(N)=N[C@](C)(c2cc(NC(=O)C(F)F)cc(F)c2F)CS1(=O)=O.
What is the InChIKey of N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide?
The InChIKey is GROCMHLUXPORAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17F4N3O3S/c1-14(2)13(20)22-15(3,6-26(14,24)25)8-4-7(5-9(16)10(8)17)21-12(23)11(18)19/h4-5,11H,6H2,1-3H3,(H2,20,22)(H,21,23)/t15-/m0/s1.
What are the key properties of N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide?
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide has a molecular weight of 395.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide is sourced from PubChem (CID 89094947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).