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

C4H5NOS — CID 15764503

IUPAC5-methyl-1,3-thiazol-4-one
SMILESCC1SC=NC1=O
InChIInChI=1S/C4H5NOS/c1-3-4(6)5-2-7-3/h2-3H,1H3
InChIKeyZQIHONMRROEQBI-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.68
Rot. Bonds

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

5-methyl-1,3-thiazol-4-one (PubChem CID 15764503) has the molecular formula C4H5NOS and a molecular weight of 115.16 g/mol. Its IUPAC name is 5-methyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-methyl-1,3-thiazol-4-one
PubChem CID15764503
Molecular FormulaC4H5NOS
Molecular Weight115.16 g/mol
Exact Mass115.01
IUPAC Name5-methyl-1,3-thiazol-4-one
SMILESCC1SC=NC1=O
InChIInChI=1S/C4H5NOS/c1-3-4(6)5-2-7-3/h2-3H,1H3
InChIKeyZQIHONMRROEQBI-UHFFFAOYSA-N
XLogP0.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-thiazol-4-one?
The IUPAC name of 5-methyl-1,3-thiazol-4-one (CID 15764503) is 5-methyl-1,3-thiazol-4-one.
What is the SMILES notation for 5-methyl-1,3-thiazol-4-one?
The canonical SMILES for 5-methyl-1,3-thiazol-4-one is CC1SC=NC1=O.
What is the InChIKey of 5-methyl-1,3-thiazol-4-one?
The InChIKey is ZQIHONMRROEQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS/c1-3-4(6)5-2-7-3/h2-3H,1H3.
What are the key properties of 5-methyl-1,3-thiazol-4-one?
5-methyl-1,3-thiazol-4-one has a molecular weight of 115.16 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-thiazol-4-one is sourced from PubChem (CID 15764503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).