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

C7H9NO3S — CID 43213839

IUPACmethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCOC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C7H9NO3S/c1-5-4-12-7(10)8(5)3-6(9)11-2/h4H,3H2,1-2H3
InChIKeyBWDRKILOPCOBGG-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.39
Rot. Bonds2

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

methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 43213839) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID43213839
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Namemethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCOC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C7H9NO3S/c1-5-4-12-7(10)8(5)3-6(9)11-2/h4H,3H2,1-2H3
InChIKeyBWDRKILOPCOBGG-UHFFFAOYSA-N
XLogP0.39
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)acetic acid
CID 2468238
3-(Carboxymethyl)-4-methylthiazole
CID 20392083
2-Fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid
CID 81297738
Ethyl 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 81297878
methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate
CID 56997596
methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide
CID 173084164
2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 2468237
Cyanomethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 30249740
Ethyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 43214089
Methyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
CID 43408823
Ethyl 2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
CID 54900567
Methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propylamino]acetate
CID 54941859

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 43213839) is methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is COC(=O)Cn1c(C)csc1=O.
What is the InChIKey of methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is BWDRKILOPCOBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-5-4-12-7(10)8(5)3-6(9)11-2/h4H,3H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 187.22 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 43213839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).