ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate

C11H15NO3S — CID 23242303

IUPACethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)C(C)(C)C)sn1
InChIInChI=1S/C11H15NO3S/c1-5-15-10(14)7-6-8(16-12-7)9(13)11(2,3)4/h6H,5H2,1-4H3
InChIKeyLXGKEWNJVNJUKO-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.55
Rot. Bonds3

About ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate

ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate (PubChem CID 23242303) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate
PubChem CID23242303
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Nameethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)C(C)(C)C)sn1
InChIInChI=1S/C11H15NO3S/c1-5-15-10(14)7-6-8(16-12-7)9(13)11(2,3)4/h6H,5H2,1-4H3
InChIKeyLXGKEWNJVNJUKO-UHFFFAOYSA-N
XLogP2.55
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid
CID 117218324
2,2-dimethyl-1-(5-methyl-1,2-thiazol-3-yl)propan-1-one
CID 164705767
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
2,2-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-one
CID 130604778
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
ethyl 2-(2,2-dimethylpropanoyl)-4,5,7,8-tetrahydrothieno[2,3-d]azepine-6-carboxylate
CID 66934204
ethyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 137146915
2-methyl-2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one
CID 131067756
ethyl 1-tert-butyltriazole-4-carboxylate
CID 13399237
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
diethyl 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11290764

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate?
The IUPAC name of ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate (CID 23242303) is ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate is CCOC(=O)c1cc(C(=O)C(C)(C)C)sn1.
What is the InChIKey of ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate?
The InChIKey is LXGKEWNJVNJUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-5-15-10(14)7-6-8(16-12-7)9(13)11(2,3)4/h6H,5H2,1-4H3.
What are the key properties of ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate?
ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate has a molecular weight of 241.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 23242303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).