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

C13H13NO5S — CID 55459201

IUPACmethyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1COC(=O)Cc1csc(C)n1
InChIInChI=1S/C13H13NO5S/c1-8-14-10(7-20-8)5-11(15)19-6-9-3-4-18-12(9)13(16)17-2/h3-4,7H,5-6H2,1-2H3
InChIKeyQNLDOVKFRCAZSN-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.12
Rot. Bonds5

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

methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate (PubChem CID 55459201) has the molecular formula C13H13NO5S and a molecular weight of 295.32 g/mol. Its IUPAC name is methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate
PubChem CID55459201
Molecular FormulaC13H13NO5S
Molecular Weight295.32 g/mol
Exact Mass295.05
IUPAC Namemethyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1COC(=O)Cc1csc(C)n1
InChIInChI=1S/C13H13NO5S/c1-8-14-10(7-20-8)5-11(15)19-6-9-3-4-18-12(9)13(16)17-2/h3-4,7H,5-6H2,1-2H3
InChIKeyQNLDOVKFRCAZSN-UHFFFAOYSA-N
XLogP2.12
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55328053
(3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327909
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 43032895
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate
CID 18122133
[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 29379767
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55328075
(2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 18169960
methyl 3-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 30411462
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55529702
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327946
methyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]furan-3-carboxylate
CID 55510233

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate (CID 55459201) is methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate is COC(=O)c1occc1COC(=O)Cc1csc(C)n1.
What is the InChIKey of methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate?
The InChIKey is QNLDOVKFRCAZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S/c1-8-14-10(7-20-8)5-11(15)19-6-9-3-4-18-12(9)13(16)17-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate?
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate has a molecular weight of 295.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 55459201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).