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

C6H9NO2S — CID 104599328

IUPAC3-(ethoxymethyl)-1,3-thiazol-2-one
SMILESCCOCn1ccsc1=O
InChIInChI=1S/C6H9NO2S/c1-2-9-5-7-3-4-10-6(7)8/h3-4H,2,5H2,1H3
InChIKeyPMMALAFLBPEZFB-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.90
Rot. Bonds3

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

3-(ethoxymethyl)-1,3-thiazol-2-one (PubChem CID 104599328) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(ethoxymethyl)-1,3-thiazol-2-one
PubChem CID104599328
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name3-(ethoxymethyl)-1,3-thiazol-2-one
SMILESCCOCn1ccsc1=O
InChIInChI=1S/C6H9NO2S/c1-2-9-5-7-3-4-10-6(7)8/h3-4H,2,5H2,1H3
InChIKeyPMMALAFLBPEZFB-UHFFFAOYSA-N
XLogP0.90
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-2-one
CID 106706330
ethyl 2-bromo-2H-1,3-thiazole-3-carboxylate
CID 67377847
2-ethoxy-3-methyl-2H-1,3-thiazole
CID 68943823
ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate
CID 69174231
ethyl 2H-1,3-thiazole-3-carboxylate
CID 70119022
Ethyl 1,4-thiazine-4-carboxylate
CID 70183517
Ethane;3-methyl-1,3-thiazol-2-one
CID 91228224
2-methoxyethyl 2H-1,3-thiazole-3-carboxylate
CID 141008097
methyl 2H-1,3-thiazole-3-carboxylate
CID 141008100
2-ethylsulfanylethyl 2H-1,3-thiazole-3-carboxylate
CID 141008123
but-2-ynyl 2H-1,3-thiazole-3-carboxylate
CID 141008124
2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate
CID 141008136

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(ethoxymethyl)-1,3-thiazol-2-one (CID 104599328) is 3-(ethoxymethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(ethoxymethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(ethoxymethyl)-1,3-thiazol-2-one is CCOCn1ccsc1=O.
What is the InChIKey of 3-(ethoxymethyl)-1,3-thiazol-2-one?
The InChIKey is PMMALAFLBPEZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-2-9-5-7-3-4-10-6(7)8/h3-4H,2,5H2,1H3.
What are the key properties of 3-(ethoxymethyl)-1,3-thiazol-2-one?
3-(ethoxymethyl)-1,3-thiazol-2-one has a molecular weight of 159.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 104599328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).