ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate

C13H14N2O2S — CID 55109855

IUPACethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate
SMILESCCOC(=O)c1ccccc1NCc1cncs1
InChIInChI=1S/C13H14N2O2S/c1-2-17-13(16)11-5-3-4-6-12(11)15-8-10-7-14-9-18-10/h3-7,9,15H,2,8H2,1H3
InChIKeyFGGYWPKTVGJNFW-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.93
Rot. Bonds5

About ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate

ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate (PubChem CID 55109855) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate
PubChem CID55109855
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Nameethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate
SMILESCCOC(=O)c1ccccc1NCc1cncs1
InChIInChI=1S/C13H14N2O2S/c1-2-17-13(16)11-5-3-4-6-12(11)15-8-10-7-14-9-18-10/h3-7,9,15H,2,8H2,1H3
InChIKeyFGGYWPKTVGJNFW-UHFFFAOYSA-N
XLogP2.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758134
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate
CID 43663374
ethyl 2-[(2-methylphenyl)methylamino]benzoate
CID 43217386
ethyl 2-(propylamino)benzoate
CID 15662762
ethyl 2-[(3-cyclopropylimidazol-4-yl)methylamino]benzoate
CID 66164081
ethyl 2-[(2-hydroxy-5-methylphenyl)methylamino]benzoate
CID 63326977
ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate
CID 43322204
ethyl 2-[(2,5-dimethylthiophen-3-yl)methylamino]benzoate
CID 63423353
ethyl 2-(1H-pyrrol-3-ylmethylamino)benzoate
CID 66410244
ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62749628
ethyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]benzoate
CID 63045017

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate?
The IUPAC name of ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate (CID 55109855) is ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate?
The canonical SMILES for ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate is CCOC(=O)c1ccccc1NCc1cncs1.
What is the InChIKey of ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate?
The InChIKey is FGGYWPKTVGJNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-17-13(16)11-5-3-4-6-12(11)15-8-10-7-14-9-18-10/h3-7,9,15H,2,8H2,1H3.
What are the key properties of ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate?
ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate has a molecular weight of 262.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate is sourced from PubChem (CID 55109855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).