(4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

C13H16F2N2OS — CID 118732788

IUPAC(4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCOC[C@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2OS/c1-13(10-4-3-9(14)5-11(10)15)8(6-18-2)7-19-12(16)17-13/h3-5,8H,6-7H2,1-2H3,(H2,16,17)/t8-,13-/m0/s1
InChIKeyWRFZKUFJPBAFHG-SDBXPKJASA-N
MW286.35 g/mol
LogP2.50
Rot. Bonds3

About (4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

(4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 118732788) has the molecular formula C13H16F2N2OS and a molecular weight of 286.35 g/mol. Its IUPAC name is (4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID118732788
Molecular FormulaC13H16F2N2OS
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name(4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCOC[C@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2OS/c1-13(10-4-3-9(14)5-11(10)15)8(6-18-2)7-19-12(16)17-13/h3-5,8H,6-7H2,1-2H3,(H2,16,17)/t8-,13-/m0/s1
InChIKeyWRFZKUFJPBAFHG-SDBXPKJASA-N
XLogP2.50
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 118732788) is (4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is COC[C@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F.
What is the InChIKey of (4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is WRFZKUFJPBAFHG-SDBXPKJASA-N. The full InChI is InChI=1S/C13H16F2N2OS/c1-13(10-4-3-9(14)5-11(10)15)8(6-18-2)7-19-12(16)17-13/h3-5,8H,6-7H2,1-2H3,(H2,16,17)/t8-,13-/m0/s1.
What are the key properties of (4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
(4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 286.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 118732788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).