3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one

C9H15NO2S — CID 79361188

IUPAC3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCC(C)(C)O
InChIInChI=1S/C9H15NO2S/c1-7-6-13-8(11)10(7)5-4-9(2,3)12/h6,12H,4-5H2,1-3H3
InChIKeyWXOGSUUHLMIGKT-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.38
Rot. Bonds3

About 3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one

3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 79361188) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one
PubChem CID79361188
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCC(C)(C)O
InChIInChI=1S/C9H15NO2S/c1-7-6-13-8(11)10(7)5-4-9(2,3)12/h6,12H,4-5H2,1-3H3
InChIKeyWXOGSUUHLMIGKT-UHFFFAOYSA-N
XLogP1.38
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one (CID 79361188) is 3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCC(C)(C)O.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is WXOGSUUHLMIGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-7-6-13-8(11)10(7)5-4-9(2,3)12/h6,12H,4-5H2,1-3H3.
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one?
3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 201.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 79361188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).