4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one

C13H13NO2S — CID 135534062

IUPAC4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one
SMILESCC(C)c1ccc(-c2nc(O)cc(=O)s2)cc1
InChIInChI=1S/C13H13NO2S/c1-8(2)9-3-5-10(6-4-9)13-14-11(15)7-12(16)17-13/h3-8,15H,1-2H3
InChIKeyZZUCUOKIFSANOC-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.00
Rot. Bonds2

About 4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one

4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one (PubChem CID 135534062) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one
PubChem CID135534062
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one
SMILESCC(C)c1ccc(-c2nc(O)cc(=O)s2)cc1
InChIInChI=1S/C13H13NO2S/c1-8(2)9-3-5-10(6-4-9)13-14-11(15)7-12(16)17-13/h3-8,15H,1-2H3
InChIKeyZZUCUOKIFSANOC-UHFFFAOYSA-N
XLogP3.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one?
The IUPAC name of 4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one (CID 135534062) is 4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one?
The canonical SMILES for 4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one is CC(C)c1ccc(-c2nc(O)cc(=O)s2)cc1.
What is the InChIKey of 4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one?
The InChIKey is ZZUCUOKIFSANOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-8(2)9-3-5-10(6-4-9)13-14-11(15)7-12(16)17-13/h3-8,15H,1-2H3.
What are the key properties of 4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one?
4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one has a molecular weight of 247.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one is sourced from PubChem (CID 135534062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).