(4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine

C14H17F2N3S — CID 89097539

IUPAC(4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine
SMILESCC(C)(F)C1=C[C@@](C)(c2cc(N)ccc2F)N=C(N)S1
InChIInChI=1S/C14H17F2N3S/c1-13(2,16)11-7-14(3,19-12(18)20-11)9-6-8(17)4-5-10(9)15/h4-7H,17H2,1-3H3,(H2,18,19)/t14-/m0/s1
InChIKeyXUWLQZOQDQUCGF-AWEZNQCLSA-N
MW297.37 g/mol
LogP3.32
Rot. Bonds2

About (4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine

(4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine (PubChem CID 89097539) has the molecular formula C14H17F2N3S and a molecular weight of 297.37 g/mol. Its IUPAC name is (4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine
PubChem CID89097539
Molecular FormulaC14H17F2N3S
Molecular Weight297.37 g/mol
Exact Mass297.11
IUPAC Name(4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine
SMILESCC(C)(F)C1=C[C@@](C)(c2cc(N)ccc2F)N=C(N)S1
InChIInChI=1S/C14H17F2N3S/c1-13(2,16)11-7-14(3,19-12(18)20-11)9-6-8(17)4-5-10(9)15/h4-7H,17H2,1-3H3,(H2,18,19)/t14-/m0/s1
InChIKeyXUWLQZOQDQUCGF-AWEZNQCLSA-N
XLogP3.32
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine?
The IUPAC name of (4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine (CID 89097539) is (4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine.
What is the SMILES notation for (4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine?
The canonical SMILES for (4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine is CC(C)(F)C1=C[C@@](C)(c2cc(N)ccc2F)N=C(N)S1.
What is the InChIKey of (4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine?
The InChIKey is XUWLQZOQDQUCGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17F2N3S/c1-13(2,16)11-7-14(3,19-12(18)20-11)9-6-8(17)4-5-10(9)15/h4-7H,17H2,1-3H3,(H2,18,19)/t14-/m0/s1.
What are the key properties of (4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine?
(4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine has a molecular weight of 297.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine is sourced from PubChem (CID 89097539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).