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

C15H16N2O4S — CID 698158

IUPACmethyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2ccc(C)cc2)nc1C
InChIInChI=1S/C15H16N2O4S/c1-9-4-6-11(7-5-9)21-8-12(18)17-15-16-10(2)13(22-15)14(19)20-3/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyHZJJGXXQORGFCQ-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.56
Rot. Bonds5

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

methyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 698158) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID698158
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Namemethyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2ccc(C)cc2)nc1C
InChIInChI=1S/C15H16N2O4S/c1-9-4-6-11(7-5-9)21-8-12(18)17-15-16-10(2)13(22-15)14(19)20-3/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyHZJJGXXQORGFCQ-UHFFFAOYSA-N
XLogP2.56
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 698158) is methyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)COc2ccc(C)cc2)nc1C.
What is the InChIKey of methyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is HZJJGXXQORGFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9-4-6-11(7-5-9)21-8-12(18)17-15-16-10(2)13(22-15)14(19)20-3/h4-7H,8H2,1-3H3,(H,16,17,18).
What are the key properties of methyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 698158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).