3-(methoxymethyl)-1,3-thiazol-2-one

C5H7NO2S — CID 115687879

IUPAC3-(methoxymethyl)-1,3-thiazol-2-one
SMILESCOCn1ccsc1=O
InChIInChI=1S/C5H7NO2S/c1-8-4-6-2-3-9-5(6)7/h2-3H,4H2,1H3
InChIKeyCCGMJQDNGBXXDV-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.51
Rot. Bonds2

About 3-(methoxymethyl)-1,3-thiazol-2-one

3-(methoxymethyl)-1,3-thiazol-2-one (PubChem CID 115687879) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(methoxymethyl)-1,3-thiazol-2-one
PubChem CID115687879
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name3-(methoxymethyl)-1,3-thiazol-2-one
SMILESCOCn1ccsc1=O
InChIInChI=1S/C5H7NO2S/c1-8-4-6-2-3-9-5(6)7/h2-3H,4H2,1H3
InChIKeyCCGMJQDNGBXXDV-UHFFFAOYSA-N
XLogP0.51
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(methoxymethyl)-1,3-thiazol-2-one (CID 115687879) is 3-(methoxymethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(methoxymethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(methoxymethyl)-1,3-thiazol-2-one is COCn1ccsc1=O.
What is the InChIKey of 3-(methoxymethyl)-1,3-thiazol-2-one?
The InChIKey is CCGMJQDNGBXXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-8-4-6-2-3-9-5(6)7/h2-3H,4H2,1H3.
What are the key properties of 3-(methoxymethyl)-1,3-thiazol-2-one?
3-(methoxymethyl)-1,3-thiazol-2-one has a molecular weight of 145.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 115687879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).