methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C16H18N2O4S — CID 1285343

IUPACmethyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2c(C)cccc2C)nc1C
InChIInChI=1S/C16H18N2O4S/c1-9-6-5-7-10(2)13(9)22-8-12(19)18-16-17-11(3)14(23-16)15(20)21-4/h5-7H,8H2,1-4H3,(H,17,18,19)
InChIKeyYHORFUPUGLEJSR-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.87
Rot. Bonds5

About methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 1285343) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID1285343
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Namemethyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2c(C)cccc2C)nc1C
InChIInChI=1S/C16H18N2O4S/c1-9-6-5-7-10(2)13(9)22-8-12(19)18-16-17-11(3)14(23-16)15(20)21-4/h5-7H,8H2,1-4H3,(H,17,18,19)
InChIKeyYHORFUPUGLEJSR-UHFFFAOYSA-N
XLogP2.87
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 1285343) is methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)COc2c(C)cccc2C)nc1C.
What is the InChIKey of methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is YHORFUPUGLEJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-9-6-5-7-10(2)13(9)22-8-12(19)18-16-17-11(3)14(23-16)15(20)21-4/h5-7H,8H2,1-4H3,(H,17,18,19).
What are the key properties of methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1285343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).