1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone

C7H9NO2S — CID 62653161

IUPAC1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
SMILESCOCc1ncc(C(C)=O)s1
InChIInChI=1S/C7H9NO2S/c1-5(9)6-3-8-7(11-6)4-10-2/h3H,4H2,1-2H3
InChIKeyGCMMBQGPTZCTGI-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.49
Rot. Bonds3

About 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone

1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 62653161) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID62653161
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
SMILESCOCc1ncc(C(C)=O)s1
InChIInChI=1S/C7H9NO2S/c1-5(9)6-3-8-7(11-6)4-10-2/h3H,4H2,1-2H3
InChIKeyGCMMBQGPTZCTGI-UHFFFAOYSA-N
XLogP1.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Thiazol-5-yl)ethan-1-one
CID 14042329
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-one
CID 20815186
2-(Methoxymethyl)thiazole-5-carbaldehyde
CID 45121687
1-(2-Bromo-1,3-thiazol-5-yl)ethan-1-one
CID 57562813
2-(1-Methoxyethyl)-1,3-thiazole-5-carbaldehyde
CID 79616131
2-(1-Hydroxyethyl)-1,3-thiazole-5-carbaldehyde
CID 86811561
2,2,2-Trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 57620089
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanone
CID 58629012
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 62652804
1-[2-(Fluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 69675720
1-(2-(Trifluoromethyl)thiazol-5-yl)ethanone
CID 72214632
Carbanide;2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanone;tungsten
CID 161822031

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone (CID 62653161) is 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone is COCc1ncc(C(C)=O)s1.
What is the InChIKey of 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is GCMMBQGPTZCTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5(9)6-3-8-7(11-6)4-10-2/h3H,4H2,1-2H3.
What are the key properties of 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 171.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62653161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).