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

C11H12F2N2S — CID 90657111

IUPAC(4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2ccc(F)cc2F)CCSC(N)=N1
InChIInChI=1S/C11H12F2N2S/c1-11(4-5-16-10(14)15-11)8-3-2-7(12)6-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1
InChIKeyJRYNZJXSUKTLGF-NSHDSACASA-N
MW242.29 g/mol
LogP2.63
Rot. Bonds1

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

(4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 90657111) has the molecular formula C11H12F2N2S and a molecular weight of 242.29 g/mol. Its IUPAC name is (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID90657111
Molecular FormulaC11H12F2N2S
Molecular Weight242.29 g/mol
Exact Mass242.07
IUPAC Name(4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2ccc(F)cc2F)CCSC(N)=N1
InChIInChI=1S/C11H12F2N2S/c1-11(4-5-16-10(14)15-11)8-3-2-7(12)6-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1
InChIKeyJRYNZJXSUKTLGF-NSHDSACASA-N
XLogP2.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 118732788
(4S)-4-[5-[(2,2-difluoroethylamino)methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137633017
(4S)-4-[5-(ethylaminomethyl)-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137637780
(4S)-4-[2,4-difluoro-5-[(2,2,2-trifluoroethylamino)methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137643369
(4S)-4-[2,4-difluoro-5-[(3,3,3-trifluoropropylamino)methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137646316
(4S)-4-[2,4-difluoro-5-[(propan-2-ylamino)methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137648425
(4S)-4-[5-[(dimethylamino)methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137662127
(4S,5R)-4-(2,4-difluorophenyl)-5-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 118732789
(4S)-4-[2,4-difluoro-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137657646
4-Phenyl-thiazolidin-(2E)-ylideneamine
CID 13196077
(4S)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine
CID 59374749
US9499502, Table A: Entry 11
CID 89095185

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 90657111) is (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is C[C@@]1(c2ccc(F)cc2F)CCSC(N)=N1.
What is the InChIKey of (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is JRYNZJXSUKTLGF-NSHDSACASA-N. The full InChI is InChI=1S/C11H12F2N2S/c1-11(4-5-16-10(14)15-11)8-3-2-7(12)6-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1.
What are the key properties of (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
(4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 242.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 90657111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).