ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

C10H14N2O2S — CID 40611193

IUPACethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc([C@H]2CCCN2)n1
InChIInChI=1S/C10H14N2O2S/c1-2-14-10(13)8-6-15-9(12-8)7-4-3-5-11-7/h6-7,11H,2-5H2,1H3/t7-/m1/s1
InChIKeyUKHLURZCGAUBCQ-SSDOTTSWSA-N
MW226.30 g/mol
LogP1.74
Rot. Bonds3

About ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate (PubChem CID 40611193) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
PubChem CID40611193
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Nameethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc([C@H]2CCCN2)n1
InChIInChI=1S/C10H14N2O2S/c1-2-14-10(13)8-6-15-9(12-8)7-4-3-5-11-7/h6-7,11H,2-5H2,1H3/t7-/m1/s1
InChIKeyUKHLURZCGAUBCQ-SSDOTTSWSA-N
XLogP1.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
ethyl 2-[(4S)-4-acetylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 174443710
ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925303
ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide
CID 146083082
ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate
CID 114748147
N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3698377
ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate
CID 113459519
ethyl 4-pyrrolidin-2-ylbenzoate
CID 146447328
N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3357908
ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride
CID 120857828
4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62539820
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-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate (CID 40611193) is ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc([C@H]2CCCN2)n1.
What is the InChIKey of ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is UKHLURZCGAUBCQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-14-10(13)8-6-15-9(12-8)7-4-3-5-11-7/h6-7,11H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 40611193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).