[(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol

C12H15F2N3OS — CID 118441200

IUPAC[(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol
SMILESC[C@]1(c2cc(N)ccc2F)N=C(N)S[C@H](CO)[C@@H]1F
InChIInChI=1S/C12H15F2N3OS/c1-12(7-4-6(15)2-3-8(7)13)10(14)9(5-18)19-11(16)17-12/h2-4,9-10,18H,5,15H2,1H3,(H2,16,17)/t9-,10+,12-/m1/s1
InChIKeyJTIUISVIGNOIEV-JFGNBEQYSA-N
MW287.33 g/mol
LogP1.38
Rot. Bonds2

About [(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol

[(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol (PubChem CID 118441200) has the molecular formula C12H15F2N3OS and a molecular weight of 287.33 g/mol. Its IUPAC name is [(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol.

Molecular Properties

Compound Name[(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol
PubChem CID118441200
Molecular FormulaC12H15F2N3OS
Molecular Weight287.33 g/mol
Exact Mass287.09
IUPAC Name[(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol
SMILESC[C@]1(c2cc(N)ccc2F)N=C(N)S[C@H](CO)[C@@H]1F
InChIInChI=1S/C12H15F2N3OS/c1-12(7-4-6(15)2-3-8(7)13)10(14)9(5-18)19-11(16)17-12/h2-4,9-10,18H,5,15H2,1H3,(H2,16,17)/t9-,10+,12-/m1/s1
InChIKeyJTIUISVIGNOIEV-JFGNBEQYSA-N
XLogP1.38
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol?
The IUPAC name of [(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol (CID 118441200) is [(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol.
What is the SMILES notation for [(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol?
The canonical SMILES for [(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol is C[C@]1(c2cc(N)ccc2F)N=C(N)S[C@H](CO)[C@@H]1F.
What is the InChIKey of [(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol?
The InChIKey is JTIUISVIGNOIEV-JFGNBEQYSA-N. The full InChI is InChI=1S/C12H15F2N3OS/c1-12(7-4-6(15)2-3-8(7)13)10(14)9(5-18)19-11(16)17-12/h2-4,9-10,18H,5,15H2,1H3,(H2,16,17)/t9-,10+,12-/m1/s1.
What are the key properties of [(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol?
[(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol has a molecular weight of 287.33 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R,6R)-2-amino-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol is sourced from PubChem (CID 118441200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).