4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one

C8H8N2O4S2 — CID 90696060

IUPAC4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one
SMILESO=c1scc(O)n1CCn1c(O)csc1=O
InChIInChI=1S/C8H8N2O4S2/c11-5-3-15-7(13)9(5)1-2-10-6(12)4-16-8(10)14/h3-4,11-12H,1-2H2
InChIKeyBSSSJWYKTXDRCP-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.24
Rot. Bonds3

About 4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one

4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one (PubChem CID 90696060) has the molecular formula C8H8N2O4S2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one
PubChem CID90696060
Molecular FormulaC8H8N2O4S2
Molecular Weight260.30 g/mol
Exact Mass259.99
IUPAC Name4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one
SMILESO=c1scc(O)n1CCn1c(O)csc1=O
InChIInChI=1S/C8H8N2O4S2/c11-5-3-15-7(13)9(5)1-2-10-6(12)4-16-8(10)14/h3-4,11-12H,1-2H2
InChIKeyBSSSJWYKTXDRCP-UHFFFAOYSA-N
XLogP0.24
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-(Dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one
CID 123700873

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one (CID 90696060) is 4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one is O=c1scc(O)n1CCn1c(O)csc1=O.
What is the InChIKey of 4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one?
The InChIKey is BSSSJWYKTXDRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S2/c11-5-3-15-7(13)9(5)1-2-10-6(12)4-16-8(10)14/h3-4,11-12H,1-2H2.
What are the key properties of 4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one?
4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one has a molecular weight of 260.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 90696060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).