(4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C16H15FN2S — CID 102385604

IUPAC(4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESNC1=N[C@H](c2ccccc2F)C[C@H](c2ccccc2)S1
InChIInChI=1S/C16H15FN2S/c17-13-9-5-4-8-12(13)14-10-15(20-16(18)19-14)11-6-2-1-3-7-11/h1-9,14-15H,10H2,(H2,18,19)/t14-,15+/m0/s1
InChIKeySIXGUGZENGSOMI-LSDHHAIUSA-N
MW286.38 g/mol
LogP4.06
Rot. Bonds2

About (4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine

(4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 102385604) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is (4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID102385604
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name(4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESNC1=N[C@H](c2ccccc2F)C[C@H](c2ccccc2)S1
InChIInChI=1S/C16H15FN2S/c17-13-9-5-4-8-12(13)14-10-15(20-16(18)19-14)11-6-2-1-3-7-11/h1-9,14-15H,10H2,(H2,18,19)/t14-,15+/m0/s1
InChIKeySIXGUGZENGSOMI-LSDHHAIUSA-N
XLogP4.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of (4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 102385604) is (4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for (4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for (4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine is NC1=N[C@H](c2ccccc2F)C[C@H](c2ccccc2)S1.
What is the InChIKey of (4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is SIXGUGZENGSOMI-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H15FN2S/c17-13-9-5-4-8-12(13)14-10-15(20-16(18)19-14)11-6-2-1-3-7-11/h1-9,14-15H,10H2,(H2,18,19)/t14-,15+/m0/s1.
What are the key properties of (4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
(4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 102385604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).