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

C16H13FN2S — CID 1268734

IUPAC(6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine
SMILESNC1=NC(c2ccccc2)=C[C@@H](c2ccc(F)cc2)S1
InChIInChI=1S/C16H13FN2S/c17-13-8-6-12(7-9-13)15-10-14(19-16(18)20-15)11-4-2-1-3-5-11/h1-10,15H,(H2,18,19)/t15-/m0/s1
InChIKeyIZBPVHAZASUYEA-HNNXBMFYSA-N
MW284.36 g/mol
LogP3.97
Rot. Bonds2

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

(6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine (PubChem CID 1268734) has the molecular formula C16H13FN2S and a molecular weight of 284.36 g/mol. Its IUPAC name is (6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine
PubChem CID1268734
Molecular FormulaC16H13FN2S
Molecular Weight284.36 g/mol
Exact Mass284.08
IUPAC Name(6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine
SMILESNC1=NC(c2ccccc2)=C[C@@H](c2ccc(F)cc2)S1
InChIInChI=1S/C16H13FN2S/c17-13-8-6-12(7-9-13)15-10-14(19-16(18)20-15)11-4-2-1-3-5-11/h1-10,15H,(H2,18,19)/t15-/m0/s1
InChIKeyIZBPVHAZASUYEA-HNNXBMFYSA-N
XLogP3.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorobenzyl)thio]-6-phenyl-4(3H)-pyrimidinone
CID 135403416
2-fluorobenzyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate
CID 1947246
benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
CID 3727516
3-fluorobenzyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate
CID 4563615
(4s)-4-(2,4-Difluorophenyl)-4-Methyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine
CID 90657111
benzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate
CID 5108539
(2Z)-2-[(4-fluorophenyl)methylidene]-6-phenyl-1,4,5-thiadiazepin-3-imine
CID 40484268
2-(4-Fluoro-benzylsulfanyl)-6-phenyl-pyrimidin-4-ol
CID 135432093
(4S)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine
CID 59374749
Benzyl N-benzylcarbamimidothioate--hydrogen chloride (1/1)
CID 3056804
benzyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate;hydrochloride
CID 45260364
ST026298
CID 717441

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine?
The IUPAC name of (6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine (CID 1268734) is (6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine.
What is the SMILES notation for (6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine?
The canonical SMILES for (6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine is NC1=NC(c2ccccc2)=C[C@@H](c2ccc(F)cc2)S1.
What is the InChIKey of (6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine?
The InChIKey is IZBPVHAZASUYEA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H13FN2S/c17-13-8-6-12(7-9-13)15-10-14(19-16(18)20-15)11-4-2-1-3-5-11/h1-10,15H,(H2,18,19)/t15-/m0/s1.
What are the key properties of (6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine?
(6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine is sourced from PubChem (CID 1268734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).