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

C18H20NO5S- — CID 9159606

IUPAC2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(OCC(=O)c2nc(CC(=O)[O-])cs2)c(C(C)(C)C)c1
InChIInChI=1S/C18H21NO5S/c1-18(2,3)13-8-12(23-4)5-6-15(13)24-9-14(20)17-19-11(10-25-17)7-16(21)22/h5-6,8,10H,7,9H2,1-4H3,(H,21,22)/p-1
InChIKeyLPFFUNUOMXJSQV-UHFFFAOYSA-M
MW362.43 g/mol
LogP2.00
Rot. Bonds7

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

2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate (PubChem CID 9159606) has the molecular formula C18H20NO5S- and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
PubChem CID9159606
Molecular FormulaC18H20NO5S-
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(OCC(=O)c2nc(CC(=O)[O-])cs2)c(C(C)(C)C)c1
InChIInChI=1S/C18H21NO5S/c1-18(2,3)13-8-12(23-4)5-6-15(13)24-9-14(20)17-19-11(10-25-17)7-16(21)22/h5-6,8,10H,7,9H2,1-4H3,(H,21,22)/p-1
InChIKeyLPFFUNUOMXJSQV-UHFFFAOYSA-M
XLogP2.00
TPSA88.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159576
2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate
CID 9159385
2-[2-[2-(2-tert-butyl-4-methylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159594
2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159506
2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9159822
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159564
2-[2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745506
2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745299
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide
CID 106746517
2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate
CID 9159295
2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066796

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate (CID 9159606) is 2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate is COc1ccc(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-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is LPFFUNUOMXJSQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H21NO5S/c1-18(2,3)13-8-12(23-4)5-6-15(13)24-9-14(20)17-19-11(10-25-17)7-16(21)22/h5-6,8,10H,7,9H2,1-4H3,(H,21,22)/p-1.
What are the key properties of 2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate?
2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 362.43 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9159606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).