3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one

C8H13NO2S — CID 126996685

IUPAC3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCOCCn1c(C)c(C)sc1=O
InChIInChI=1S/C8H13NO2S/c1-6-7(2)12-8(10)9(6)4-5-11-3/h4-5H2,1-3H3
InChIKeyNJNAPPTXGZFWBP-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.17
Rot. Bonds3

About 3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one

3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 126996685) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID126996685
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCOCCn1c(C)c(C)sc1=O
InChIInChI=1S/C8H13NO2S/c1-6-7(2)12-8(10)9(6)4-5-11-3/h4-5H2,1-3H3
InChIKeyNJNAPPTXGZFWBP-UHFFFAOYSA-N
XLogP1.17
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one (CID 126996685) is 3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one is COCCn1c(C)c(C)sc1=O.
What is the InChIKey of 3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is NJNAPPTXGZFWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-6-7(2)12-8(10)9(6)4-5-11-3/h4-5H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one?
3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 187.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 126996685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).