methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate

C13H14N2O3S — CID 104824928

IUPACmethyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate
SMILESCOC(=O)c1c(N)cccc1Cn1c(C)csc1=O
InChIInChI=1S/C13H14N2O3S/c1-8-7-19-13(17)15(8)6-9-4-3-5-10(14)11(9)12(16)18-2/h3-5,7H,6,14H2,1-2H3
InChIKeyOKPFROPHZVJZAU-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.64
Rot. Bonds3

About methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate

methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate (PubChem CID 104824928) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate
PubChem CID104824928
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Namemethyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate
SMILESCOC(=O)c1c(N)cccc1Cn1c(C)csc1=O
InChIInChI=1S/C13H14N2O3S/c1-8-7-19-13(17)15(8)6-9-4-3-5-10(14)11(9)12(16)18-2/h3-5,7H,6,14H2,1-2H3
InChIKeyOKPFROPHZVJZAU-UHFFFAOYSA-N
XLogP1.64
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate
CID 104824888
methyl 2-amino-6-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]benzoate
CID 104825061
methyl 2-amino-6-[(4-chloro-3-methylpyrazol-1-yl)methyl]benzoate
CID 104825017
methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate
CID 113457440
methyl 2-amino-6-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoate
CID 103505252
methyl 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-6-aminobenzoate
CID 104824591
methyl 2-amino-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
CID 66107125
methyl 2-amino-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoate
CID 104824669
N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32605316
3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one
CID 43287026
methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
CID 104824362
methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate
CID 8850705

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate?
The IUPAC name of methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate (CID 104824928) is methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate?
The canonical SMILES for methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate is COC(=O)c1c(N)cccc1Cn1c(C)csc1=O.
What is the InChIKey of methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate?
The InChIKey is OKPFROPHZVJZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8-7-19-13(17)15(8)6-9-4-3-5-10(14)11(9)12(16)18-2/h3-5,7H,6,14H2,1-2H3.
What are the key properties of methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate?
methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate has a molecular weight of 278.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate is sourced from PubChem (CID 104824928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).