2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate

C19H22NO4S- — CID 9159576

IUPAC2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
SMILESCCc1ccc(OCC(=O)c2nc(CC(=O)[O-])cs2)c(C(C)(C)C)c1
InChIInChI=1S/C19H23NO4S/c1-5-12-6-7-16(14(8-12)19(2,3)4)24-10-15(21)18-20-13(11-25-18)9-17(22)23/h6-8,11H,5,9-10H2,1-4H3,(H,22,23)/p-1
InChIKeyDPXOORVMKZPEFJ-UHFFFAOYSA-M
MW360.46 g/mol
LogP2.56
Rot. Bonds7

About 2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate

2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate (PubChem CID 9159576) has the molecular formula C19H22NO4S- and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
PubChem CID9159576
Molecular FormulaC19H22NO4S-
Molecular Weight360.46 g/mol
Exact Mass360.13
IUPAC Name2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
SMILESCCc1ccc(OCC(=O)c2nc(CC(=O)[O-])cs2)c(C(C)(C)C)c1
InChIInChI=1S/C19H23NO4S/c1-5-12-6-7-16(14(8-12)19(2,3)4)24-10-15(21)18-20-13(11-25-18)9-17(22)23/h6-8,11H,5,9-10H2,1-4H3,(H,22,23)/p-1
InChIKeyDPXOORVMKZPEFJ-UHFFFAOYSA-M
XLogP2.56
TPSA79.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159606
2-[2-[2-(2-tert-butyl-4-methylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159594
2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745299
2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate
CID 9159385
2-[2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745506
2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159506
2-[2-[2-(4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159479
methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate
CID 28905814
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159564
2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159640
4-(2-tert-butyl-4-ethylphenoxy)-3-methylbut-2-enoic acid
CID 77005489
5-[(2-tert-butyl-4-ethylphenoxy)methyl]furan-2-carboxylic acid
CID 7138841

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate (CID 9159576) is 2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate is CCc1ccc(OCC(=O)c2nc(CC(=O)[O-])cs2)c(C(C)(C)C)c1.
What is the InChIKey of 2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is DPXOORVMKZPEFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23NO4S/c1-5-12-6-7-16(14(8-12)19(2,3)4)24-10-15(21)18-20-13(11-25-18)9-17(22)23/h6-8,11H,5,9-10H2,1-4H3,(H,22,23)/p-1.
What are the key properties of 2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate?
2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 360.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9159576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).