4,5-dihydroxy-3-methyl-1,3-thiazol-2-one

C4H5NO3S — CID 54142958

IUPAC4,5-dihydroxy-3-methyl-1,3-thiazol-2-one
SMILESCn1c(O)c(O)sc1=O
InChIInChI=1S/C4H5NO3S/c1-5-2(6)3(7)9-4(5)8/h6-7H,1H3
InChIKeyOCJAFEUYBAKFLJ-UHFFFAOYSA-N
MW147.16 g/mol
LogP-0.14
Rot. Bonds

About 4,5-dihydroxy-3-methyl-1,3-thiazol-2-one

4,5-dihydroxy-3-methyl-1,3-thiazol-2-one (PubChem CID 54142958) has the molecular formula C4H5NO3S and a molecular weight of 147.16 g/mol. Its IUPAC name is 4,5-dihydroxy-3-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-3-methyl-1,3-thiazol-2-one
PubChem CID54142958
Molecular FormulaC4H5NO3S
Molecular Weight147.16 g/mol
Exact Mass147.00
IUPAC Name4,5-dihydroxy-3-methyl-1,3-thiazol-2-one
SMILESCn1c(O)c(O)sc1=O
InChIInChI=1S/C4H5NO3S/c1-5-2(6)3(7)9-4(5)8/h6-7H,1H3
InChIKeyOCJAFEUYBAKFLJ-UHFFFAOYSA-N
XLogP-0.14
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-3-methyl-1,3-thiazol-2-one
CID 53709471
5-Chloro-4-hydroxy-3-methyl-1,3-thiazol-2-one
CID 54418672
4-Hydroxy-3,5-dimethyl-1,3-thiazol-2-one
CID 54493826
4-Hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one
CID 90927831
5-Bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one
CID 90966181
3-Ethyl-5-hydroxy-1,3-thiazol-2-one
CID 91228450
5-Hydroxy-3-methyl-1,3-thiazol-2-one
CID 91301993

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-3-methyl-1,3-thiazol-2-one?
The IUPAC name of 4,5-dihydroxy-3-methyl-1,3-thiazol-2-one (CID 54142958) is 4,5-dihydroxy-3-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-dihydroxy-3-methyl-1,3-thiazol-2-one?
The canonical SMILES for 4,5-dihydroxy-3-methyl-1,3-thiazol-2-one is Cn1c(O)c(O)sc1=O.
What is the InChIKey of 4,5-dihydroxy-3-methyl-1,3-thiazol-2-one?
The InChIKey is OCJAFEUYBAKFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3S/c1-5-2(6)3(7)9-4(5)8/h6-7H,1H3.
What are the key properties of 4,5-dihydroxy-3-methyl-1,3-thiazol-2-one?
4,5-dihydroxy-3-methyl-1,3-thiazol-2-one has a molecular weight of 147.16 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-3-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 54142958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).