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

C16H21F2N3O3S — CID 89094948

IUPACN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]propanamide
SMILESCCC(=O)Nc1cc(F)c(F)c([C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)c1
InChIInChI=1S/C16H21F2N3O3S/c1-5-12(22)20-9-6-10(13(18)11(17)7-9)16(4)8-25(23,24)15(2,3)14(19)21-16/h6-7H,5,8H2,1-4H3,(H2,19,21)(H,20,22)/t16-/m0/s1
InChIKeyDGNMTVLFVQICAX-INIZCTEOSA-N
MW373.43 g/mol
LogP2.09
Rot. Bonds3

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

N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]propanamide (PubChem CID 89094948) has the molecular formula C16H21F2N3O3S and a molecular weight of 373.43 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]propanamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]propanamide
PubChem CID89094948
Molecular FormulaC16H21F2N3O3S
Molecular Weight373.43 g/mol
Exact Mass373.13
IUPAC NameN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]propanamide
SMILESCCC(=O)Nc1cc(F)c(F)c([C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)c1
InChIInChI=1S/C16H21F2N3O3S/c1-5-12(22)20-9-6-10(13(18)11(17)7-9)16(4)8-25(23,24)15(2,3)14(19)21-16/h6-7H,5,8H2,1-4H3,(H2,19,21)(H,20,22)/t16-/m0/s1
InChIKeyDGNMTVLFVQICAX-INIZCTEOSA-N
XLogP2.09
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.09
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]propanamide 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]propanamide?
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]propanamide (CID 89094948) is N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]propanamide.
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]propanamide?
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]propanamide is CCC(=O)Nc1cc(F)c(F)c([C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)c1.
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]propanamide?
The InChIKey is DGNMTVLFVQICAX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21F2N3O3S/c1-5-12(22)20-9-6-10(13(18)11(17)7-9)16(4)8-25(23,24)15(2,3)14(19)21-16/h6-7H,5,8H2,1-4H3,(H2,19,21)(H,20,22)/t16-/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]propanamide?
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]propanamide has a molecular weight of 373.43 g/mol, XLogP of 2.09, 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]propanamide is sourced from PubChem (CID 89094948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).