2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate

C15H14NO4S- — CID 9159320

IUPAC2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate
SMILESCC(C)c1ccccc1OCC(=O)c1nc(C(=O)[O-])cs1
InChIInChI=1S/C15H15NO4S/c1-9(2)10-5-3-4-6-13(10)20-7-12(17)14-16-11(8-21-14)15(18)19/h3-6,8-9H,7H2,1-2H3,(H,18,19)/p-1
InChIKeyLBGVIDBDZCLKHI-UHFFFAOYSA-M
MW304.35 g/mol
LogP1.89
Rot. Bonds6

About 2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate

2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate (PubChem CID 9159320) has the molecular formula C15H14NO4S- and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate
PubChem CID9159320
Molecular FormulaC15H14NO4S-
Molecular Weight304.35 g/mol
Exact Mass304.06
IUPAC Name2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate
SMILESCC(C)c1ccccc1OCC(=O)c1nc(C(=O)[O-])cs1
InChIInChI=1S/C15H15NO4S/c1-9(2)10-5-3-4-6-13(10)20-7-12(17)14-16-11(8-21-14)15(18)19/h3-6,8-9H,7H2,1-2H3,(H,18,19)/p-1
InChIKeyLBGVIDBDZCLKHI-UHFFFAOYSA-M
XLogP1.89
TPSA79.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
N-phenyl-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003146
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7770883
1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413870
1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413871
2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159640
N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158586
(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179422
1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43220137
2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 45154352
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
2-[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20992743

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate (CID 9159320) is 2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate is CC(C)c1ccccc1OCC(=O)c1nc(C(=O)[O-])cs1.
What is the InChIKey of 2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate?
The InChIKey is LBGVIDBDZCLKHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NO4S/c1-9(2)10-5-3-4-6-13(10)20-7-12(17)14-16-11(8-21-14)15(18)19/h3-6,8-9H,7H2,1-2H3,(H,18,19)/p-1.
What are the key properties of 2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate?
2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 9159320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).