ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate

C12H12N2O3S — CID 86669549

IUPACethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate
SMILESCCOC(=O)c1cccc(Oc2cnc(N)s2)c1
InChIInChI=1S/C12H12N2O3S/c1-2-16-11(15)8-4-3-5-9(6-8)17-10-7-14-12(13)18-10/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyOKCAAYNKFHVBPA-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.69
Rot. Bonds4

About ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate

ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate (PubChem CID 86669549) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate.

Molecular Properties

Compound Nameethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate
PubChem CID86669549
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Nameethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate
SMILESCCOC(=O)c1cccc(Oc2cnc(N)s2)c1
InChIInChI=1S/C12H12N2O3S/c1-2-16-11(15)8-4-3-5-9(6-8)17-10-7-14-12(13)18-10/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyOKCAAYNKFHVBPA-UHFFFAOYSA-N
XLogP2.69
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl benzene-1,3-dicarboxylate
CID 12491
4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
CID 11121450
ethyl 3-(3,5-dichlorophenoxy)benzoate
CID 170871962
ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate
CID 71668879
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
CID 66714636
CID 66714636
methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate
CID 88861650
ethyl 3-[(2R)-butan-2-yl]oxybenzoate
CID 139830028
ethyl 3-but-2-enoxybenzoate
CID 57207462
ethyl 3-[4-[(2R)-butan-2-yl]phenoxy]benzoate
CID 7100431
ethyl 3-[methylsulfonyl-(3-phenoxybenzoyl)amino]benzoate
CID 3727396
ethyl 3-acetylbenzoate
CID 11298463

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate?
The IUPAC name of ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate (CID 86669549) is ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate.
What is the SMILES notation for ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate?
The canonical SMILES for ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate is CCOC(=O)c1cccc(Oc2cnc(N)s2)c1.
What is the InChIKey of ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate?
The InChIKey is OKCAAYNKFHVBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-2-16-11(15)8-4-3-5-9(6-8)17-10-7-14-12(13)18-10/h3-7H,2H2,1H3,(H2,13,14).
What are the key properties of ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate?
ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate has a molecular weight of 264.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate is sourced from PubChem (CID 86669549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).