ethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

C17H20N2O4S — CID 1154198

IUPACethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2cc(C)cc(C)c2)n1
InChIInChI=1S/C17H20N2O4S/c1-4-22-16(21)8-13-10-24-17(18-13)19-15(20)9-23-14-6-11(2)5-12(3)7-14/h5-7,10H,4,8-9H2,1-3H3,(H,18,19,20)
InChIKeyZXQGLWADSCSEQV-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.88
Rot. Bonds7

About ethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 1154198) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID1154198
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nameethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2cc(C)cc(C)c2)n1
InChIInChI=1S/C17H20N2O4S/c1-4-22-16(21)8-13-10-24-17(18-13)19-15(20)9-23-14-6-11(2)5-12(3)7-14/h5-7,10H,4,8-9H2,1-3H3,(H,18,19,20)
InChIKeyZXQGLWADSCSEQV-UHFFFAOYSA-N
XLogP2.88
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 1154198) is ethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)COc2cc(C)cc(C)c2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZXQGLWADSCSEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-22-16(21)8-13-10-24-17(18-13)19-15(20)9-23-14-6-11(2)5-12(3)7-14/h5-7,10H,4,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of ethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 348.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1154198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).