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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Related Compounds

5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one
CID 123246803
6-hexan-3-yl-3-methyl-1H-pyridin-2-one
CID 144533250
N,4-dimethyl-2-oxo-N-pentan-2-yl-3H-1,3-thiazole-5-sulfonamide
CID 60985801
4-hydroxy-5-[[4-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]methyl]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90913449
1-hexan-3-yl-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875245
2-hexan-3-yl-5-methyl-1H-imidazole
CID 170149364
3-(5-methylthiophen-2-yl)hexanoic acid
CID 83957673
6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione
CID 112598984
2-ethylpentanamide;5-(trifluoromethyl)-3H-1,3-benzothiazol-2-one
CID 131729126
2-(2-hexan-3-ylphenyl)phenol
CID 66866315
1-hexan-3-yl-2,3-dimethylcyclopropene
CID 123742761
2-ethylsulfonyl-5-pentan-2-ylsulfinyl-1,3,4-thiadiazole
CID 12889547

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).