3-methyl-2-oxo-1,3-thiazol-4-olate

C4H4NO2S- — CID 59024639

IUPAC3-methyl-2-oxo-1,3-thiazol-4-olate
SMILESCn1c([O-])csc1=O
InChIInChI=1S/C4H5NO2S/c1-5-3(6)2-8-4(5)7/h2,6H,1H3/p-1
InChIKeyZTOPLIIHRUHGMG-UHFFFAOYSA-M
MW130.15 g/mol
LogP-0.48
Rot. Bonds

About 3-methyl-2-oxo-1,3-thiazol-4-olate

3-methyl-2-oxo-1,3-thiazol-4-olate (PubChem CID 59024639) has the molecular formula C4H4NO2S- and a molecular weight of 130.15 g/mol. Its IUPAC name is 3-methyl-2-oxo-1,3-thiazol-4-olate.

Molecular Properties

Compound Name3-methyl-2-oxo-1,3-thiazol-4-olate
PubChem CID59024639
Molecular FormulaC4H4NO2S-
Molecular Weight130.15 g/mol
Exact Mass130.00
IUPAC Name3-methyl-2-oxo-1,3-thiazol-4-olate
SMILESCn1c([O-])csc1=O
InChIInChI=1S/C4H5NO2S/c1-5-3(6)2-8-4(5)7/h2,6H,1H3/p-1
InChIKeyZTOPLIIHRUHGMG-UHFFFAOYSA-M
XLogP-0.48
TPSA45.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3H-thiazol-2-one
CID 12743050
4-Hydroxy-3-methyl-1,3-thiazol-2-one
CID 53709471
3-Ethyl-4-hydroxy-1,3-thiazol-2-one
CID 54276559
4-Hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one
CID 54447903
4-Hydroxy-3-(methoxymethyl)-1,3-thiazol-2-one
CID 124012176

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1,3-thiazol-4-olate?
The IUPAC name of 3-methyl-2-oxo-1,3-thiazol-4-olate (CID 59024639) is 3-methyl-2-oxo-1,3-thiazol-4-olate.
What is the SMILES notation for 3-methyl-2-oxo-1,3-thiazol-4-olate?
The canonical SMILES for 3-methyl-2-oxo-1,3-thiazol-4-olate is Cn1c([O-])csc1=O.
What is the InChIKey of 3-methyl-2-oxo-1,3-thiazol-4-olate?
The InChIKey is ZTOPLIIHRUHGMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5NO2S/c1-5-3(6)2-8-4(5)7/h2,6H,1H3/p-1.
What are the key properties of 3-methyl-2-oxo-1,3-thiazol-4-olate?
3-methyl-2-oxo-1,3-thiazol-4-olate has a molecular weight of 130.15 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1,3-thiazol-4-olate is sourced from PubChem (CID 59024639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).