methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate

C13H13NO6S — CID 8850705

IUPACmethyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)Cn2c(C)csc2=O)o1
InChIInChI=1S/C13H13NO6S/c1-8-7-21-13(17)14(8)5-11(15)19-6-9-3-4-10(20-9)12(16)18-2/h3-4,7H,5-6H2,1-2H3
InChIKeyOTAMUWYRVWYELN-UHFFFAOYSA-N
MW311.31 g/mol
LogP1.34
Rot. Bonds5

About methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate

methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate (PubChem CID 8850705) has the molecular formula C13H13NO6S and a molecular weight of 311.31 g/mol. Its IUPAC name is methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate
PubChem CID8850705
Molecular FormulaC13H13NO6S
Molecular Weight311.31 g/mol
Exact Mass311.05
IUPAC Namemethyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)Cn2c(C)csc2=O)o1
InChIInChI=1S/C13H13NO6S/c1-8-7-21-13(17)14(8)5-11(15)19-6-9-3-4-10(20-9)12(16)18-2/h3-4,7H,5-6H2,1-2H3
InChIKeyOTAMUWYRVWYELN-UHFFFAOYSA-N
XLogP1.34
TPSA87.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8813224
(7-methyl-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9320557
methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate
CID 7997628
3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62025239
[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 16560654
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate
CID 104824928
(5-methoxycarbonylfuran-2-yl)methyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732098
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide
CID 43287094
methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate
CID 32933113

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate (CID 8850705) is methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)Cn2c(C)csc2=O)o1.
What is the InChIKey of methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate?
The InChIKey is OTAMUWYRVWYELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO6S/c1-8-7-21-13(17)14(8)5-11(15)19-6-9-3-4-10(20-9)12(16)18-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate has a molecular weight of 311.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 8850705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).