3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane

C16H28FN3O2S — CID 144606503

IUPAC3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane
SMILESCC.CC1(C)C(N)=NC(c2cc(N)ccc2F)CS1=O.COC
InChIInChI=1S/C12H16FN3OS.C2H6O.C2H6/c1-12(2)11(15)16-10(6-18(12)17)8-5-7(14)3-4-9(8)13;1-3-2;1-2/h3-5,10H,6,14H2,1-2H3,(H2,15,16);1-2H3;1-2H3
InChIKeyXDIXKODNSRRLJL-UHFFFAOYSA-N
MW345.48 g/mol
LogP2.64
Rot. Bonds1

About 3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane

3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane (PubChem CID 144606503) has the molecular formula C16H28FN3O2S and a molecular weight of 345.48 g/mol. Its IUPAC name is 3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane.

Molecular Properties

Compound Name3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane
PubChem CID144606503
Molecular FormulaC16H28FN3O2S
Molecular Weight345.48 g/mol
Exact Mass345.19
IUPAC Name3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane
SMILESCC.CC1(C)C(N)=NC(c2cc(N)ccc2F)CS1=O.COC
InChIInChI=1S/C12H16FN3OS.C2H6O.C2H6/c1-12(2)11(15)16-10(6-18(12)17)8-5-7(14)3-4-9(8)13;1-3-2;1-2/h3-5,10H,6,14H2,1-2H3,(H2,15,16);1-2H3;1-2H3
InChIKeyXDIXKODNSRRLJL-UHFFFAOYSA-N
XLogP2.64
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine
CID 144715703
N-[3-(6-amino-2,7,7-trimethyl-1-oxo-3,4-dihydro-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]formamide
CID 144870304
N-[3-(5-amino-1-oxo-1λ4-thia-4-azaspiro[5.5]undec-4-en-3-yl)-4-fluorophenyl]formamide
CID 130282834
3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-imidazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine
CID 135143218
N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide
CID 126633940
3-(5-amino-2-fluorophenyl)-1-oxo-6-[4-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 126633995
(5S)-5-(5-amino-2-fluorophenyl)-2,5,6,7-tetrahydro-1,4-oxazepin-3-amine
CID 163838579
ethane;3-[2-fluoro-5-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]phenyl]-6,6-dimethyl-1-methylidene-2,3-dihydro-1,4-thiazin-5-amine;methanamine
CID 145039245
3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 126633705
6,6-dimethyl-3-[7-(oxetan-3-yl)-8-prop-1-ynyldibenzothiophen-2-yl]-1-oxo-2,3-dihydro-1,4-thiazin-5-amine
CID 145175063
N-[3-(5-amino-1-oxo-9-oxa-1λ4-thia-4-azaspiro[5.5]undec-4-en-3-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 144538900
5-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-chloro-N-[(4-chlorophenyl)methyl]thiophene-2-carboxamide
CID 126633662

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane?
The IUPAC name of 3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane (CID 144606503) is 3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane.
What is the SMILES notation for 3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane?
The canonical SMILES for 3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane is CC.CC1(C)C(N)=NC(c2cc(N)ccc2F)CS1=O.COC.
What is the InChIKey of 3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane?
The InChIKey is XDIXKODNSRRLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3OS.C2H6O.C2H6/c1-12(2)11(15)16-10(6-18(12)17)8-5-7(14)3-4-9(8)13;1-3-2;1-2/h3-5,10H,6,14H2,1-2H3,(H2,15,16);1-2H3;1-2H3.
What are the key properties of 3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane?
3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane has a molecular weight of 345.48 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane is sourced from PubChem (CID 144606503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).