ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate

C19H18N2O3S — CID 3074894

IUPACethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O3S/c1-2-23-18(22)12-24-16-10-8-14(9-11-16)17-13-25-19(21-17)20-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H,20,21)
InChIKeyJTBAUYBFAAUYBB-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.50
Rot. Bonds7

About ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate

ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate (PubChem CID 3074894) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate
PubChem CID3074894
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Nameethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O3S/c1-2-23-18(22)12-24-16-10-8-14(9-11-16)17-13-25-19(21-17)20-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H,20,21)
InChIKeyJTBAUYBFAAUYBB-UHFFFAOYSA-N
XLogP4.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate (CID 3074894) is ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate is CCOC(=O)COc1ccc(-c2csc(Nc3ccccc3)n2)cc1.
What is the InChIKey of ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate?
The InChIKey is JTBAUYBFAAUYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-2-23-18(22)12-24-16-10-8-14(9-11-16)17-13-25-19(21-17)20-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate?
ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate has a molecular weight of 354.43 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate is sourced from PubChem (CID 3074894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).