(4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol

C11H11F3N2OS — CID 163132301

IUPAC(4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol
SMILESNC1=N[C@@](O)(C(F)(F)F)C[C@@H](c2ccccc2)S1
InChIInChI=1S/C11H11F3N2OS/c12-11(13,14)10(17)6-8(18-9(15)16-10)7-4-2-1-3-5-7/h1-5,8,17H,6H2,(H2,15,16)/t8-,10-/m0/s1
InChIKeyGPJSJXQNAZIMKE-WPRPVWTQSA-N
MW276.28 g/mol
LogP2.43
Rot. Bonds1

About (4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol

(4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol (PubChem CID 163132301) has the molecular formula C11H11F3N2OS and a molecular weight of 276.28 g/mol. Its IUPAC name is (4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol.

Molecular Properties

Compound Name(4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol
PubChem CID163132301
Molecular FormulaC11H11F3N2OS
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC Name(4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol
SMILESNC1=N[C@@](O)(C(F)(F)F)C[C@@H](c2ccccc2)S1
InChIInChI=1S/C11H11F3N2OS/c12-11(13,14)10(17)6-8(18-9(15)16-10)7-4-2-1-3-5-7/h1-5,8,17H,6H2,(H2,15,16)/t8-,10-/m0/s1
InChIKeyGPJSJXQNAZIMKE-WPRPVWTQSA-N
XLogP2.43
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol?
The IUPAC name of (4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol (CID 163132301) is (4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol.
What is the SMILES notation for (4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol?
The canonical SMILES for (4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol is NC1=N[C@@](O)(C(F)(F)F)C[C@@H](c2ccccc2)S1.
What is the InChIKey of (4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol?
The InChIKey is GPJSJXQNAZIMKE-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H11F3N2OS/c12-11(13,14)10(17)6-8(18-9(15)16-10)7-4-2-1-3-5-7/h1-5,8,17H,6H2,(H2,15,16)/t8-,10-/m0/s1.
What are the key properties of (4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol?
(4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol has a molecular weight of 276.28 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-2-amino-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-ol is sourced from PubChem (CID 163132301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).