2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C18H21NO5S — CID 9159822

IUPAC2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(OCC(=O)c2nc(C)c(C(=O)O)s2)c(C(C)(C)C)c1
InChIInChI=1S/C18H21NO5S/c1-10-15(17(21)22)25-16(19-10)13(20)9-24-14-7-6-11(23-5)8-12(14)18(2,3)4/h6-8H,9H2,1-5H3,(H,21,22)
InChIKeyIFTPMJWIJBEWSN-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.72
Rot. Bonds6

About 2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 9159822) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID9159822
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(OCC(=O)c2nc(C)c(C(=O)O)s2)c(C(C)(C)C)c1
InChIInChI=1S/C18H21NO5S/c1-10-15(17(21)22)25-16(19-10)13(20)9-24-14-7-6-11(23-5)8-12(14)18(2,3)4/h6-8H,9H2,1-5H3,(H,21,22)
InChIKeyIFTPMJWIJBEWSN-UHFFFAOYSA-N
XLogP3.72
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-tert-butyl-4-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980916
2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate
CID 9159385
2-[2-(4-bromophenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9159838
2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159606
2-[2-(4-chloro-3-methylphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9159872
2-[2-(2-tert-butyl-4-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 7745548
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
3-(2-tert-butyl-4-methoxyphenoxy)propanoic acid
CID 16771116
2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid
CID 16642065
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104751738
4-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-3-ethoxybenzoic acid
CID 20988478
2-[2-[2-(2-tert-butyl-4-methylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159594

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 9159822) is 2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid is COc1ccc(OCC(=O)c2nc(C)c(C(=O)O)s2)c(C(C)(C)C)c1.
What is the InChIKey of 2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is IFTPMJWIJBEWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-10-15(17(21)22)25-16(19-10)13(20)9-24-14-7-6-11(23-5)8-12(14)18(2,3)4/h6-8H,9H2,1-5H3,(H,21,22).
What are the key properties of 2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 363.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 9159822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).