methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate

C8H11NO2S — CID 14245639

IUPACmethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate
SMILESCOC(=O)Cc1nc(C)c(C)s1
InChIInChI=1S/C8H11NO2S/c1-5-6(2)12-7(9-5)4-8(10)11-3/h4H2,1-3H3
InChIKeyYVGLHENCBYGPKN-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.48
Rot. Bonds2

About methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate

methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate (PubChem CID 14245639) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate
PubChem CID14245639
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Namemethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate
SMILESCOC(=O)Cc1nc(C)c(C)s1
InChIInChI=1S/C8H11NO2S/c1-5-6(2)12-7(9-5)4-8(10)11-3/h4H2,1-3H3
InChIKeyYVGLHENCBYGPKN-UHFFFAOYSA-N
XLogP1.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 7130900
Ethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate
CID 22934862
Sodium 2-(dimethyl-1,3-thiazol-2-yl)acetate
CID 47003310
Ethyl 2-(dimethyl-1,3-thiazol-2-YL)acetate
CID 60675946
2-Thiazoleacetic acid, 4,5-dimethyl-
CID 19845521
(2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid
CID 137275633
CID 53419966
CID 53419966
2-[5-(Fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 84771005
2-[5-(Fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
CID 84777166
2-[5-(Difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 84779350
2-[5-(Fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid
CID 84785223
2-[5-(Difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
CID 84787769

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate (CID 14245639) is methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate is COC(=O)Cc1nc(C)c(C)s1.
What is the InChIKey of methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate?
The InChIKey is YVGLHENCBYGPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-5-6(2)12-7(9-5)4-8(10)11-3/h4H2,1-3H3.
What are the key properties of methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate?
methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate has a molecular weight of 185.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 14245639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).