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

C7H11NO3S — CID 54426525

IUPAC4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one
SMILESCOCCCn1c(O)csc1=O
InChIInChI=1S/C7H11NO3S/c1-11-4-2-3-8-6(9)5-12-7(8)10/h5,9H,2-4H2,1H3
InChIKeyWEMGWHSGUDYAMD-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.65
Rot. Bonds4

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

4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one (PubChem CID 54426525) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one
PubChem CID54426525
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one
SMILESCOCCCn1c(O)csc1=O
InChIInChI=1S/C7H11NO3S/c1-11-4-2-3-8-6(9)5-12-7(8)10/h5,9H,2-4H2,1H3
InChIKeyWEMGWHSGUDYAMD-UHFFFAOYSA-N
XLogP0.65
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Butyl-4-hydroxy-1,3-thiazol-2-one
CID 56631257
4-Hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one
CID 90890943
4-Hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione
CID 91268921
4-Hydroxy-3-propyl-1,3-thiazol-2-one
CID 123136344
4-Hydroxy-3-(2-methoxyethyl)-1,3-thiazol-2-one
CID 123383007
3-(3-Hydroxypropyl)-1,3-thiazol-2-one
CID 63312364
3-(3-Ethoxypropyl)-1,3-thiazol-2-one
CID 115659292
3-(3-Methoxypropyl)-1,3-thiazol-2-one
CID 115736833
3-(3-Hydroxy-2-methylpropyl)-1,3-thiazol-2-one
CID 115871069

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one (CID 54426525) is 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one is COCCCn1c(O)csc1=O.
What is the InChIKey of 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one?
The InChIKey is WEMGWHSGUDYAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-11-4-2-3-8-6(9)5-12-7(8)10/h5,9H,2-4H2,1H3.
What are the key properties of 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one?
4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one has a molecular weight of 189.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 54426525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).