ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C19H24N2O4S — CID 978479

IUPACethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccc(C(C)(C)C)cc2)nc1C
InChIInChI=1S/C19H24N2O4S/c1-6-24-17(23)16-12(2)20-18(26-16)21-15(22)11-25-14-9-7-13(8-10-14)19(3,4)5/h7-10H,6,11H2,1-5H3,(H,20,21,22)
InChIKeyFSPXDJIIHHNUIN-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.94
Rot. Bonds6

About ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 978479) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID978479
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Nameethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccc(C(C)(C)C)cc2)nc1C
InChIInChI=1S/C19H24N2O4S/c1-6-24-17(23)16-12(2)20-18(26-16)21-15(22)11-25-14-9-7-13(8-10-14)19(3,4)5/h7-10H,6,11H2,1-5H3,(H,20,21,22)
InChIKeyFSPXDJIIHHNUIN-UHFFFAOYSA-N
XLogP3.94
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 978479) is ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)COc2ccc(C(C)(C)C)cc2)nc1C.
What is the InChIKey of ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is FSPXDJIIHHNUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-6-24-17(23)16-12(2)20-18(26-16)21-15(22)11-25-14-9-7-13(8-10-14)19(3,4)5/h7-10H,6,11H2,1-5H3,(H,20,21,22).
What are the key properties of ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 376.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 978479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).