3-methyl-1,3-thiazol-2-one

C4H5NOS — CID 12743050

IUPAC3-methyl-1,3-thiazol-2-one
SMILESCn1ccsc1=O
InChIInChI=1S/C4H5NOS/c1-5-2-3-7-4(5)6/h2-3H,1H3
InChIKeyOXSRLRNINYOVES-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.45
Rot. Bonds

About 3-methyl-1,3-thiazol-2-one

3-methyl-1,3-thiazol-2-one (PubChem CID 12743050) has the molecular formula C4H5NOS and a molecular weight of 115.16 g/mol. Its IUPAC name is 3-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-methyl-1,3-thiazol-2-one
PubChem CID12743050
Molecular FormulaC4H5NOS
Molecular Weight115.16 g/mol
Exact Mass115.01
IUPAC Name3-methyl-1,3-thiazol-2-one
SMILESCn1ccsc1=O
InChIInChI=1S/C4H5NOS/c1-5-2-3-7-4(5)6/h2-3H,1H3
InChIKeyOXSRLRNINYOVES-UHFFFAOYSA-N
XLogP0.45
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-methyl-1,3-thiazol-2-one (CID 12743050) is 3-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-methyl-1,3-thiazol-2-one is Cn1ccsc1=O.
What is the InChIKey of 3-methyl-1,3-thiazol-2-one?
The InChIKey is OXSRLRNINYOVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS/c1-5-2-3-7-4(5)6/h2-3H,1H3.
What are the key properties of 3-methyl-1,3-thiazol-2-one?
3-methyl-1,3-thiazol-2-one has a molecular weight of 115.16 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 12743050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).