ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate

C11H15NO2S — CID 107925303

IUPACethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C2CC2(C)C)n1
InChIInChI=1S/C11H15NO2S/c1-4-14-10(13)8-6-15-9(12-8)7-5-11(7,2)3/h6-7H,4-5H2,1-3H3
InChIKeyULVIRRIFOMCCKD-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.83
Rot. Bonds3

About ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate

ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate (PubChem CID 107925303) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
PubChem CID107925303
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Nameethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C2CC2(C)C)n1
InChIInChI=1S/C11H15NO2S/c1-4-14-10(13)8-6-15-9(12-8)7-5-11(7,2)3/h6-7H,4-5H2,1-3H3
InChIKeyULVIRRIFOMCCKD-UHFFFAOYSA-N
XLogP2.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925304
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
CID 80569140
2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone
CID 107925301
ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 40611193
ethyl 2-[(4S)-4-acetylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 174443710
ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide
CID 146083082
ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 80569564
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride
CID 120857828
ethyl 2-amino-1,3-thiazole-4-carboxylate;ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 158338935
ethyl 2-[(2R)-1-[(2R)-pentan-2-yl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 124625189

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate (CID 107925303) is ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(C2CC2(C)C)n1.
What is the InChIKey of ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate?
The InChIKey is ULVIRRIFOMCCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-4-14-10(13)8-6-15-9(12-8)7-5-11(7,2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107925303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).