4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one

C8H9NO3S — CID 164745589

IUPAC4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one
SMILESCC(C)C(=O)c1c(O)ncsc1=O
InChIInChI=1S/C8H9NO3S/c1-4(2)6(10)5-7(11)9-3-13-8(5)12/h3-4,11H,1-2H3
InChIKeyUMEDXXCSINRRRM-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.05
Rot. Bonds2

About 4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one

4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one (PubChem CID 164745589) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one
PubChem CID164745589
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one
SMILESCC(C)C(=O)c1c(O)ncsc1=O
InChIInChI=1S/C8H9NO3S/c1-4(2)6(10)5-7(11)9-3-13-8(5)12/h3-4,11H,1-2H3
InChIKeyUMEDXXCSINRRRM-UHFFFAOYSA-N
XLogP1.05
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one?
The IUPAC name of 4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one (CID 164745589) is 4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one is CC(C)C(=O)c1c(O)ncsc1=O.
What is the InChIKey of 4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one?
The InChIKey is UMEDXXCSINRRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-4(2)6(10)5-7(11)9-3-13-8(5)12/h3-4,11H,1-2H3.
What are the key properties of 4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one?
4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one has a molecular weight of 199.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methylpropanoyl)-1,3-thiazin-6-one is sourced from PubChem (CID 164745589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).