5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one

C9H15NO2S — CID 123978896

IUPAC5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCCCC(CC)c1sc(=O)[nH]c1O
InChIInChI=1S/C9H15NO2S/c1-3-5-6(4-2)7-8(11)10-9(12)13-7/h6,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyQJYMXJVHSVQXLT-UHFFFAOYSA-N
MW201.29 g/mol
LogP2.44
Rot. Bonds4

About 5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one

5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 123978896) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID123978896
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCCCC(CC)c1sc(=O)[nH]c1O
InChIInChI=1S/C9H15NO2S/c1-3-5-6(4-2)7-8(11)10-9(12)13-7/h6,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyQJYMXJVHSVQXLT-UHFFFAOYSA-N
XLogP2.44
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one (CID 123978896) is 5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one is CCCC(CC)c1sc(=O)[nH]c1O.
What is the InChIKey of 5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is QJYMXJVHSVQXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-3-5-6(4-2)7-8(11)10-9(12)13-7/h6,11H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one?
5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 201.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 123978896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).