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

C19H22N2O4S — CID 99795659

IUPACethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc([C@H]2CCCN2C(=O)CCc2ccccc2O)n1
InChIInChI=1S/C19H22N2O4S/c1-2-25-19(24)14-12-26-18(20-14)15-7-5-11-21(15)17(23)10-9-13-6-3-4-8-16(13)22/h3-4,6,8,12,15,22H,2,5,7,9-11H2,1H3/t15-/m1/s1
InChIKeyOGEDKRYCDQQXDT-OAHLLOKOSA-N
MW374.46 g/mol
LogP3.32
Rot. Bonds6

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

ethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate (PubChem CID 99795659) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is ethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
PubChem CID99795659
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Nameethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc([C@H]2CCCN2C(=O)CCc2ccccc2O)n1
InChIInChI=1S/C19H22N2O4S/c1-2-25-19(24)14-12-26-18(20-14)15-7-5-11-21(15)17(23)10-9-13-6-3-4-8-16(13)22/h3-4,6,8,12,15,22H,2,5,7,9-11H2,1H3/t15-/m1/s1
InChIKeyOGEDKRYCDQQXDT-OAHLLOKOSA-N
XLogP3.32
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2S)-1-[2-[(1R)-cyclohex-2-en-1-yl]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 100613801
2-[1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 126833568
ethyl 2-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99834635
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-dihydro-1H-indol-7-ylmethyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 120857827
1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
CID 47064102
ethyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 120905450
ethyl 5-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2H-triazole-4-carboxylate
CID 166269514
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99795201
ethyl 2-[(2S)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99795207

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate (CID 99795659) is ethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc([C@H]2CCCN2C(=O)CCc2ccccc2O)n1.
What is the InChIKey of ethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is OGEDKRYCDQQXDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-2-25-19(24)14-12-26-18(20-14)15-7-5-11-21(15)17(23)10-9-13-6-3-4-8-16(13)22/h3-4,6,8,12,15,22H,2,5,7,9-11H2,1H3/t15-/m1/s1.
What are the key properties of ethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 374.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 99795659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).