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

C15H18F3N3O3S — CID 66562958

IUPACN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)C(F)F)ccc2F)CS1(=O)=O
InChIInChI=1S/C15H18F3N3O3S/c1-14(2)13(19)21-15(3,7-25(14,23)24)9-6-8(4-5-10(9)16)20-12(22)11(17)18/h4-6,11H,7H2,1-3H3,(H2,19,21)(H,20,22)/t15-/m0/s1
InChIKeyKZHHGWZRVHNVGN-HNNXBMFYSA-N
MW377.39 g/mol
LogP1.81
Rot. Bonds3

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

N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide (PubChem CID 66562958) has the molecular formula C15H18F3N3O3S and a molecular weight of 377.39 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-fluorophenyl]-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-fluorophenyl]-2,2-difluoroacetamide
PubChem CID66562958
Molecular FormulaC15H18F3N3O3S
Molecular Weight377.39 g/mol
Exact Mass377.10
IUPAC NameN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)C(F)F)ccc2F)CS1(=O)=O
InChIInChI=1S/C15H18F3N3O3S/c1-14(2)13(19)21-15(3,7-25(14,23)24)9-6-8(4-5-10(9)16)20-12(22)11(17)18/h4-6,11H,7H2,1-3H3,(H2,19,21)(H,20,22)/t15-/m0/s1
InChIKeyKZHHGWZRVHNVGN-HNNXBMFYSA-N
XLogP1.81
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-fluorophenyl]-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-fluorophenyl]-2,2-difluoroacetamide (CID 66562958) is N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-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-fluorophenyl]-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-fluorophenyl]-2,2-difluoroacetamide is CC1(C)C(N)=N[C@](C)(c2cc(NC(=O)C(F)F)ccc2F)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-fluorophenyl]-2,2-difluoroacetamide?
The InChIKey is KZHHGWZRVHNVGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18F3N3O3S/c1-14(2)13(19)21-15(3,7-25(14,23)24)9-6-8(4-5-10(9)16)20-12(22)11(17)18/h4-6,11H,7H2,1-3H3,(H2,19,21)(H,20,22)/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-fluorophenyl]-2,2-difluoroacetamide?
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide has a molecular weight of 377.39 g/mol, XLogP of 1.81, 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-fluorophenyl]-2,2-difluoroacetamide is sourced from PubChem (CID 66562958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).