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

C16H18F5N3O3S — CID 89094946

IUPACN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-3,3,3-trifluoropropanamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)CC(F)(F)F)cc(F)c2F)CS1(=O)=O
InChIInChI=1S/C16H18F5N3O3S/c1-14(2)13(22)24-15(3,7-28(14,26)27)9-4-8(5-10(17)12(9)18)23-11(25)6-16(19,20)21/h4-5H,6-7H2,1-3H3,(H2,22,24)(H,23,25)/t15-/m0/s1
InChIKeyFSJATKPMYQTPNW-HNNXBMFYSA-N
MW427.40 g/mol
LogP2.64
Rot. Bonds3

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

N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-3,3,3-trifluoropropanamide (PubChem CID 89094946) has the molecular formula C16H18F5N3O3S and a molecular weight of 427.40 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]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-3,3,3-trifluoropropanamide
PubChem CID89094946
Molecular FormulaC16H18F5N3O3S
Molecular Weight427.40 g/mol
Exact Mass427.10
IUPAC NameN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-3,3,3-trifluoropropanamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)CC(F)(F)F)cc(F)c2F)CS1(=O)=O
InChIInChI=1S/C16H18F5N3O3S/c1-14(2)13(22)24-15(3,7-28(14,26)27)9-4-8(5-10(17)12(9)18)23-11(25)6-16(19,20)21/h4-5H,6-7H2,1-3H3,(H2,22,24)(H,23,25)/t15-/m0/s1
InChIKeyFSJATKPMYQTPNW-HNNXBMFYSA-N
XLogP2.64
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 52.64
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]-3,3,3-trifluoropropanamide 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 N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-3,3,3-trifluoropropanamide?
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]-3,3,3-trifluoropropanamide (CID 89094946) is N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-3,3,3-trifluoropropanamide.
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]-3,3,3-trifluoropropanamide?
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]-3,3,3-trifluoropropanamide is CC1(C)C(N)=N[C@](C)(c2cc(NC(=O)CC(F)(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]-3,3,3-trifluoropropanamide?
The InChIKey is FSJATKPMYQTPNW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18F5N3O3S/c1-14(2)13(22)24-15(3,7-28(14,26)27)9-4-8(5-10(17)12(9)18)23-11(25)6-16(19,20)21/h4-5H,6-7H2,1-3H3,(H2,22,24)(H,23,25)/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]-3,3,3-trifluoropropanamide?
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-3,3,3-trifluoropropanamide has a molecular weight of 427.40 g/mol, XLogP of 2.64, 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]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 89094946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).