(6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine

C11H13N3S — CID 163136871

IUPAC(6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine
SMILESCC[C@@H]1SC(N)=NN=C1c1ccccc1
InChIInChI=1S/C11H13N3S/c1-2-9-10(13-14-11(12)15-9)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,12,14)/t9-/m0/s1
InChIKeyIGXLUUGBGJGNDG-VIFPVBQESA-N
MW219.31 g/mol
LogP2.23
Rot. Bonds2

About (6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine

(6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine (PubChem CID 163136871) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is (6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine.

Molecular Properties

Compound Name(6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine
PubChem CID163136871
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name(6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine
SMILESCC[C@@H]1SC(N)=NN=C1c1ccccc1
InChIInChI=1S/C11H13N3S/c1-2-9-10(13-14-11(12)15-9)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,12,14)/t9-/m0/s1
InChIKeyIGXLUUGBGJGNDG-VIFPVBQESA-N
XLogP2.23
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazine
CID 2865629
(2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole
CID 23252894
4-ethyl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 13282600
2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide
CID 117067483
4-ethyl-2-phenyl-1,3-thiazol-5-amine
CID 62076991
6-(4-ethylphenyl)-5-phenyl-4,5-dihydropyridazin-3-amine
CID 64690351
ethyl 3-phenyl-2H-azirine-2-carboxylate
CID 570795
3-phenyl-4-propyl-1,2,5-thiadiazole
CID 12689835
azane;1,1'-biphenyl;butane
CID 155168826
1,1'-biphenyl;methanol;propane
CID 91033003
4-butyl-2-phenyl-1,3-thiazol-5-amine
CID 62077156
2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline
CID 79007291

Frequently Asked Questions

What is the IUPAC name of (6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine?
The IUPAC name of (6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine (CID 163136871) is (6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine.
What is the SMILES notation for (6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine?
The canonical SMILES for (6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine is CC[C@@H]1SC(N)=NN=C1c1ccccc1.
What is the InChIKey of (6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine?
The InChIKey is IGXLUUGBGJGNDG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-9-10(13-14-11(12)15-9)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,12,14)/t9-/m0/s1.
What are the key properties of (6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine?
(6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine is sourced from PubChem (CID 163136871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).