4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one

C7H9NO3S — CID 91449679

IUPAC4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one
SMILESCC(=O)CCn1c(O)csc1=O
InChIInChI=1S/C7H9NO3S/c1-5(9)2-3-8-6(10)4-12-7(8)11/h4,10H,2-3H2,1H3
InChIKeyXZTPKESYQUJSHW-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.59
Rot. Bonds3

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

4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one (PubChem CID 91449679) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one
PubChem CID91449679
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one
SMILESCC(=O)CCn1c(O)csc1=O
InChIInChI=1S/C7H9NO3S/c1-5(9)2-3-8-6(10)4-12-7(8)11/h4,10H,2-3H2,1H3
InChIKeyXZTPKESYQUJSHW-UHFFFAOYSA-N
XLogP0.59
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one
CID 54434240
3-Butyl-4-hydroxy-1,3-thiazol-2-one
CID 56631257
4-Hydroxy-3-propyl-1,3-thiazol-2-one
CID 123136344
3-(3-Oxobutyl)-1,3-thiazol-2-one
CID 63312649
3-(2-Oxobutyl)-1,3-thiazol-2-one
CID 63312938

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one (CID 91449679) is 4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one is CC(=O)CCn1c(O)csc1=O.
What is the InChIKey of 4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one?
The InChIKey is XZTPKESYQUJSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-5(9)2-3-8-6(10)4-12-7(8)11/h4,10H,2-3H2,1H3.
What are the key properties of 4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one?
4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one has a molecular weight of 187.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one is sourced from PubChem (CID 91449679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).