[5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate

C15H16N2O4S — CID 139664300

IUPAC[5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate
SMILESCOc1ccc(-c2csc(N(C)C(C)=O)n2)cc1OC(C)=O
InChIInChI=1S/C15H16N2O4S/c1-9(18)17(3)15-16-12(8-22-15)11-5-6-13(20-4)14(7-11)21-10(2)19/h5-8H,1-4H3
InChIKeyRDSGDUAYMWPJMC-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.73
Rot. Bonds4

About [5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate

[5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate (PubChem CID 139664300) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is [5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate
PubChem CID139664300
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name[5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate
SMILESCOc1ccc(-c2csc(N(C)C(C)=O)n2)cc1OC(C)=O
InChIInChI=1S/C15H16N2O4S/c1-9(18)17(3)15-16-12(8-22-15)11-5-6-13(20-4)14(7-11)21-10(2)19/h5-8H,1-4H3
InChIKeyRDSGDUAYMWPJMC-UHFFFAOYSA-N
XLogP2.73
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 857450
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylacetic acid
CID 21408386
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide
CID 142633358
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 43405521
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150

Frequently Asked Questions

What is the IUPAC name of [5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate?
The IUPAC name of [5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate (CID 139664300) is [5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate?
The canonical SMILES for [5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate is COc1ccc(-c2csc(N(C)C(C)=O)n2)cc1OC(C)=O.
What is the InChIKey of [5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate?
The InChIKey is RDSGDUAYMWPJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9(18)17(3)15-16-12(8-22-15)11-5-6-13(20-4)14(7-11)21-10(2)19/h5-8H,1-4H3.
What are the key properties of [5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate?
[5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate has a molecular weight of 320.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 139664300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).