ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate

C10H13NO2S — CID 54513950

IUPACethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C2CCC2)n1
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)8-6-14-9(11-8)7-4-3-5-7/h6-7H,2-5H2,1H3
InChIKeyYLBVMCACONJYNS-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.59
Rot. Bonds3

About ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate

ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate (PubChem CID 54513950) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
PubChem CID54513950
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Nameethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C2CCC2)n1
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)8-6-14-9(11-8)7-4-3-5-7/h6-7H,2-5H2,1H3
InChIKeyYLBVMCACONJYNS-UHFFFAOYSA-N
XLogP2.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 40611193
ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925303
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99795201
ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate
CID 6411679
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride
CID 120857828
ethyl 2-[(2R)-1-[(2R)-pentan-2-yl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 124625189
ethyl 2-[1-[(2,3,5,6-tetrafluorophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
CID 3855554
ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide
CID 146083082
ethyl 2-[(4S)-4-acetylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 174443710
ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate (CID 54513950) is ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(C2CCC2)n1.
What is the InChIKey of ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate?
The InChIKey is YLBVMCACONJYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-13-10(12)8-6-14-9(11-8)7-4-3-5-7/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate?
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 54513950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).