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

C12H15NOS — CID 139069527

IUPAC(4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
SMILESCC[C@]1(O)CCSC(c2ccccc2)=N1
InChIInChI=1S/C12H15NOS/c1-2-12(14)8-9-15-11(13-12)10-6-4-3-5-7-10/h3-7,14H,2,8-9H2,1H3/t12-/m0/s1
InChIKeyZBXCSBYFKOANIR-LBPRGKRZSA-N
MW221.33 g/mol
LogP2.67
Rot. Bonds2

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

(4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol (PubChem CID 139069527) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is (4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol.

Molecular Properties

Compound Name(4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
PubChem CID139069527
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name(4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
SMILESCC[C@]1(O)CCSC(c2ccccc2)=N1
InChIInChI=1S/C12H15NOS/c1-2-12(14)8-9-15-11(13-12)10-6-4-3-5-7-10/h3-7,14H,2,8-9H2,1H3/t12-/m0/s1
InChIKeyZBXCSBYFKOANIR-LBPRGKRZSA-N
XLogP2.67
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol
CID 143928651
4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole
CID 102236722
ethyl (4S)-4-methyl-2-phenyl-5H-1,3-thiazole-4-carboxylate
CID 11831819
(4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
CID 11747856
4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol
CID 10519052
[(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine
CID 97305172
4-bromo-4-ethyl-2,3-dihydrothiochromene
CID 172717703
N-benzyl-4,4-dimethyl-2-phenyl-1,3-thiazol-5-imine
CID 14200028
2-methyl-5-phenyl-2-propyl-3H-1,3,4-thiadiazole
CID 4084826
1,1'-biphenyl;methanol;propane
CID 91033003
ethyl 4-hydroxy-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazole-5-carboxylate
CID 57337724
(4R)-N-[4-(hydroxymethyl)thian-4-yl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 126824514

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol?
The IUPAC name of (4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol (CID 139069527) is (4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol.
What is the SMILES notation for (4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol?
The canonical SMILES for (4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol is CC[C@]1(O)CCSC(c2ccccc2)=N1.
What is the InChIKey of (4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol?
The InChIKey is ZBXCSBYFKOANIR-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15NOS/c1-2-12(14)8-9-15-11(13-12)10-6-4-3-5-7-10/h3-7,14H,2,8-9H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol?
(4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol has a molecular weight of 221.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol is sourced from PubChem (CID 139069527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).