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

C6H7NO3S — CID 54434240

IUPAC4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one
SMILESCC(=O)Cn1c(O)csc1=O
InChIInChI=1S/C6H7NO3S/c1-4(8)2-7-5(9)3-11-6(7)10/h3,9H,2H2,1H3
InChIKeyWJPUNZPIMLMQGD-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.20
Rot. Bonds2

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

4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one (PubChem CID 54434240) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is 4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one
PubChem CID54434240
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one
SMILESCC(=O)Cn1c(O)csc1=O
InChIInChI=1S/C6H7NO3S/c1-4(8)2-7-5(9)3-11-6(7)10/h3,9H,2H2,1H3
InChIKeyWJPUNZPIMLMQGD-UHFFFAOYSA-N
XLogP0.20
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one
CID 91449679
1-(4-Hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one
CID 91483994
4-Hydroxy-3-propyl-1,3-thiazol-2-one
CID 123136344
3-(2-Oxopropyl)-1,3-thiazol-2-one
CID 63312407
3-(2-Oxobutyl)-1,3-thiazol-2-one
CID 63312938

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one (CID 54434240) is 4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one is CC(=O)Cn1c(O)csc1=O.
What is the InChIKey of 4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one?
The InChIKey is WJPUNZPIMLMQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-4(8)2-7-5(9)3-11-6(7)10/h3,9H,2H2,1H3.
What are the key properties of 4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one?
4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one has a molecular weight of 173.19 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 54434240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).