3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

C12H17FN4O2S — CID 90137832

IUPAC3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(c2nc(N)ccc2F)CS(=O)(=O)C(C)(C)C(N)=N1
InChIInChI=1S/C12H17FN4O2S/c1-11(2)10(15)17-12(3,6-20(11,18)19)9-7(13)4-5-8(14)16-9/h4-5H,6H2,1-3H3,(H2,14,16)(H2,15,17)
InChIKeyDCJNEELRLJWWNF-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.58
Rot. Bonds1

About 3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 90137832) has the molecular formula C12H17FN4O2S and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
PubChem CID90137832
Molecular FormulaC12H17FN4O2S
Molecular Weight300.36 g/mol
Exact Mass300.11
IUPAC Name3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(c2nc(N)ccc2F)CS(=O)(=O)C(C)(C)C(N)=N1
InChIInChI=1S/C12H17FN4O2S/c1-11(2)10(15)17-12(3,6-20(11,18)19)9-7(13)4-5-8(14)16-9/h4-5H,6H2,1-3H3,(H2,14,16)(H2,15,17)
InChIKeyDCJNEELRLJWWNF-UHFFFAOYSA-N
XLogP0.58
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine 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 3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The IUPAC name of 3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 90137832) is 3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.
What is the SMILES notation for 3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The canonical SMILES for 3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is CC1(c2nc(N)ccc2F)CS(=O)(=O)C(C)(C)C(N)=N1.
What is the InChIKey of 3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The InChIKey is DCJNEELRLJWWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2S/c1-11(2)10(15)17-12(3,6-20(11,18)19)9-7(13)4-5-8(14)16-9/h4-5H,6H2,1-3H3,(H2,14,16)(H2,15,17).
What are the key properties of 3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 300.36 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-fluoro-2-pyridinyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 90137832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).