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

C15H16N2O5S — CID 805894

IUPACmethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2ccc(OC)cc2)nc1C
InChIInChI=1S/C15H16N2O5S/c1-9-13(14(19)21-3)23-15(16-9)17-12(18)8-22-11-6-4-10(20-2)5-7-11/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyBWXCXFGQXAVZJF-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.26
Rot. Bonds6

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

methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 805894) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID805894
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Namemethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2ccc(OC)cc2)nc1C
InChIInChI=1S/C15H16N2O5S/c1-9-13(14(19)21-3)23-15(16-9)17-12(18)8-22-11-6-4-10(20-2)5-7-11/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyBWXCXFGQXAVZJF-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 805894) is methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)COc2ccc(OC)cc2)nc1C.
What is the InChIKey of methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BWXCXFGQXAVZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-9-13(14(19)21-3)23-15(16-9)17-12(18)8-22-11-6-4-10(20-2)5-7-11/h4-7H,8H2,1-3H3,(H,16,17,18).
What are the key properties of methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(4-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-(4-methoxyphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 805894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).