N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide

C20H20F2N4O3S — CID 162366968

IUPACN-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
SMILESC[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cc4c(cn3)OCCO4)ccc2F)[C@H]1F
InChIInChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1
InChIKeyLQVIUEMPEFSVOL-CPRIZNHFSA-N
MW434.47 g/mol
LogP3.25
Rot. Bonds3

About N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide

N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide (PubChem CID 162366968) has the molecular formula C20H20F2N4O3S and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
PubChem CID162366968
Molecular FormulaC20H20F2N4O3S
Molecular Weight434.47 g/mol
Exact Mass434.12
IUPAC NameN-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
SMILESC[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cc4c(cn3)OCCO4)ccc2F)[C@H]1F
InChIInChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1
InChIKeyLQVIUEMPEFSVOL-CPRIZNHFSA-N
XLogP3.25
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide 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-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide?
The IUPAC name of N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide (CID 162366968) is N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide is C[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cc4c(cn3)OCCO4)ccc2F)[C@H]1F.
What is the InChIKey of N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide?
The InChIKey is LQVIUEMPEFSVOL-CPRIZNHFSA-N. The full InChI is InChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1.
What are the key properties of N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide?
N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 162366968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).