methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate

C20H18N2O4S — CID 9123175

IUPACmethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C20H18N2O4S/c1-13-12-27-19(21-13)14-7-9-15(10-8-14)26-11-18(23)22-17-6-4-3-5-16(17)20(24)25-2/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyXWCALIWMXLJMSP-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.92
Rot. Bonds6

About methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate

methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate (PubChem CID 9123175) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
PubChem CID9123175
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Namemethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C20H18N2O4S/c1-13-12-27-19(21-13)14-7-9-15(10-8-14)26-11-18(23)22-17-6-4-3-5-16(17)20(24)25-2/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyXWCALIWMXLJMSP-UHFFFAOYSA-N
XLogP3.92
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123178
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123007
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate
CID 100597759
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 3469007
methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate
CID 110356107
methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 35779031
1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
CID 107508099
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate (CID 9123175) is methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccc(-c2nc(C)cs2)cc1.
What is the InChIKey of methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate?
The InChIKey is XWCALIWMXLJMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-13-12-27-19(21-13)14-7-9-15(10-8-14)26-11-18(23)22-17-6-4-3-5-16(17)20(24)25-2/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate?
methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate has a molecular weight of 382.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 9123175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).