4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one

C4H5NO2S2 — CID 90927831

IUPAC4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one
SMILESCn1c(O)c(S)sc1=O
InChIInChI=1S/C4H5NO2S2/c1-5-2(6)3(8)9-4(5)7/h6,8H,1H3
InChIKeyWAVFQLSIQXWILM-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.44
Rot. Bonds

About 4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one

4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one (PubChem CID 90927831) has the molecular formula C4H5NO2S2 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one
PubChem CID90927831
Molecular FormulaC4H5NO2S2
Molecular Weight163.22 g/mol
Exact Mass162.98
IUPAC Name4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one
SMILESCn1c(O)c(S)sc1=O
InChIInChI=1S/C4H5NO2S2/c1-5-2(6)3(8)9-4(5)7/h6,8H,1H3
InChIKeyWAVFQLSIQXWILM-UHFFFAOYSA-N
XLogP0.44
TPSA42.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4,5-Dihydroxy-3-methyl-1,3-thiazol-2-one
CID 54142958
3-Ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one
CID 90830304

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one (CID 90927831) is 4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one is Cn1c(O)c(S)sc1=O.
What is the InChIKey of 4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one?
The InChIKey is WAVFQLSIQXWILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S2/c1-5-2(6)3(8)9-4(5)7/h6,8H,1H3.
What are the key properties of 4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one?
4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one has a molecular weight of 163.22 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one is sourced from PubChem (CID 90927831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).