methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C15H16N2O5S — CID 805985

IUPACmethyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2ccccc2OC)nc1C
InChIInChI=1S/C15H16N2O5S/c1-9-13(14(19)21-3)23-15(16-9)17-12(18)8-22-11-7-5-4-6-10(11)20-2/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyGSYFWKHFAUJIKT-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.26
Rot. Bonds6

About methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 805985) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID805985
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Namemethyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2ccccc2OC)nc1C
InChIInChI=1S/C15H16N2O5S/c1-9-13(14(19)21-3)23-15(16-9)17-12(18)8-22-11-7-5-4-6-10(11)20-2/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyGSYFWKHFAUJIKT-UHFFFAOYSA-N
XLogP2.26
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5-Dimethyl-thiazol-2-yl)-2-(2-methoxy-phenoxy)-acetamide
CID 893843
Methyl 2-{[(2,6-dimethylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 1285343
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2122298
Methyl 4-methyl-2-[2-(4-methylphenoxy)acetamido]-1,3-thiazole-5-carboxylate
CID 698158
Ethyl 2-{[(4-tert-butylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 978479
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid methyl ester
CID 647925
{2-[2-(4-Methoxy-phenoxy)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 986301
Ethyl (2-{[(2-ethoxyphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 1192514
Ethyl 2-[2-[(2-phenoxyacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 2066144
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4066521
2-[2-(Benzo[1,3]dioxol-5-yloxy)-acetylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 6493294
N-(5-acetyl-4-methyl(1,3-thiazol-2-yl))-4-(4-methoxyphenoxy)butanamide
CID 1637728

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 805985) is methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)COc2ccccc2OC)nc1C.
What is the InChIKey of methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is GSYFWKHFAUJIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-9-13(14(19)21-3)23-15(16-9)17-12(18)8-22-11-7-5-4-6-10(11)20-2/h4-7H,8H2,1-3H3,(H,16,17,18).
What are the key properties of methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 805985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).