(4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

C16H15F2N3S — CID 58376896

IUPAC(4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc(-c3cccnc3F)ccc2F)CCSC(N)=N1
InChIInChI=1S/C16H15F2N3S/c1-16(6-8-22-15(19)21-16)12-9-10(4-5-13(12)17)11-3-2-7-20-14(11)18/h2-5,7,9H,6,8H2,1H3,(H2,19,21)/t16-/m0/s1
InChIKeyASQQUHRFLPZNFT-INIZCTEOSA-N
MW319.38 g/mol
LogP3.69
Rot. Bonds2

About (4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

(4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 58376896) has the molecular formula C16H15F2N3S and a molecular weight of 319.38 g/mol. Its IUPAC name is (4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID58376896
Molecular FormulaC16H15F2N3S
Molecular Weight319.38 g/mol
Exact Mass319.10
IUPAC Name(4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc(-c3cccnc3F)ccc2F)CCSC(N)=N1
InChIInChI=1S/C16H15F2N3S/c1-16(6-8-22-15(19)21-16)12-9-10(4-5-13(12)17)11-3-2-7-20-14(11)18/h2-5,7,9H,6,8H2,1H3,(H2,19,21)/t16-/m0/s1
InChIKeyASQQUHRFLPZNFT-INIZCTEOSA-N
XLogP3.69
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 58376896) is (4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is C[C@@]1(c2cc(-c3cccnc3F)ccc2F)CCSC(N)=N1.
What is the InChIKey of (4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is ASQQUHRFLPZNFT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15F2N3S/c1-16(6-8-22-15(19)21-16)12-9-10(4-5-13(12)17)11-3-2-7-20-14(11)18/h2-5,7,9H,6,8H2,1H3,(H2,19,21)/t16-/m0/s1.
What are the key properties of (4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
(4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 319.38 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 58376896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).