(4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine

C13H17F2N3S — CID 126488035

IUPAC(4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@H]1SC(N)=N[C@](CF)(c2cc(N)ccc2F)[C@@H]1C
InChIInChI=1S/C13H17F2N3S/c1-7-8(2)19-12(17)18-13(7,6-14)10-5-9(16)3-4-11(10)15/h3-5,7-8H,6,16H2,1-2H3,(H2,17,18)/t7-,8+,13+/m1/s1
InChIKeyYJADIQVETLCRIK-UJVNDKKSSA-N
MW285.36 g/mol
LogP2.66
Rot. Bonds2

About (4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine

(4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 126488035) has the molecular formula C13H17F2N3S and a molecular weight of 285.36 g/mol. Its IUPAC name is (4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID126488035
Molecular FormulaC13H17F2N3S
Molecular Weight285.36 g/mol
Exact Mass285.11
IUPAC Name(4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@H]1SC(N)=N[C@](CF)(c2cc(N)ccc2F)[C@@H]1C
InChIInChI=1S/C13H17F2N3S/c1-7-8(2)19-12(17)18-13(7,6-14)10-5-9(16)3-4-11(10)15/h3-5,7-8H,6,16H2,1-2H3,(H2,17,18)/t7-,8+,13+/m1/s1
InChIKeyYJADIQVETLCRIK-UJVNDKKSSA-N
XLogP2.66
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine 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

(1S,5S,6S,7S)-5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-7-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 145015765
(1S,5S)-5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 126488038
2-[(1S,5S)-3-amino-5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-7-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl]acetonitrile
CID 130435020
(4S,5S)-4-(5-amino-2-fluorophenyl)-5-fluoro-4-(fluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 86672009
3-[(1R,5S,6S)-3-amino-5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl]propanenitrile
CID 118866652
(5S,6R)-5-(5-amino-2,3-difluorophenyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 145015610
N-[3-[(4S,5S,6S)-2-amino-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4,5-difluorophenyl]-5-prop-2-ynoxypyrazine-2-carboxamide
CID 118884823
methyl (4S,5S,6S)-2-amino-4-(5-bromo-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5H-1,3-thiazine-6-carboxylate
CID 118884919
4-fluoro-3-(2,4,5-trimethyl-1,3-dioxolan-2-yl)aniline
CID 14708881
4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine
CID 123453243
methyl (5S)-3-amino-5-(5-bromo-2-fluorophenyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylate
CID 118866027
(2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol
CID 58377103

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine (CID 126488035) is (4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine is C[C@@H]1SC(N)=N[C@](CF)(c2cc(N)ccc2F)[C@@H]1C.
What is the InChIKey of (4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is YJADIQVETLCRIK-UJVNDKKSSA-N. The full InChI is InChI=1S/C13H17F2N3S/c1-7-8(2)19-12(17)18-13(7,6-14)10-5-9(16)3-4-11(10)15/h3-5,7-8H,6,16H2,1-2H3,(H2,17,18)/t7-,8+,13+/m1/s1.
What are the key properties of (4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
(4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 285.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 126488035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).