[(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate

C15H16N2O2S — CID 95635068

IUPAC[(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate
SMILESO=C(OC[C@@H]1CCN(c2ccccc2)C1)c1cscn1
InChIInChI=1S/C15H16N2O2S/c18-15(14-10-20-11-16-14)19-9-12-6-7-17(8-12)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2/t12-/m1/s1
InChIKeyZIIXMXHPSQNALO-GFCCVEGCSA-N
MW288.37 g/mol
LogP2.83
Rot. Bonds4

About [(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate

[(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate (PubChem CID 95635068) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is [(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate
PubChem CID95635068
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name[(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate
SMILESO=C(OC[C@@H]1CCN(c2ccccc2)C1)c1cscn1
InChIInChI=1S/C15H16N2O2S/c18-15(14-10-20-11-16-14)19-9-12-6-7-17(8-12)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2/t12-/m1/s1
InChIKeyZIIXMXHPSQNALO-GFCCVEGCSA-N
XLogP2.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-benzoylpiperidin-3-yl]methyl 1,3-thiazole-4-carboxylate
CID 96528135
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46403262
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 99943025
[(3S)-1-phenylpyrrolidin-3-yl]methyl (3S)-3-pyridin-4-ylbutanoate
CID 97019431
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
[(3S)-1-phenylpyrrolidin-3-yl]methyl (2S)-1-butanoylpyrrolidine-2-carboxylate
CID 95635064
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 102562250

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate?
The IUPAC name of [(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate (CID 95635068) is [(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate.
What is the SMILES notation for [(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate?
The canonical SMILES for [(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate is O=C(OC[C@@H]1CCN(c2ccccc2)C1)c1cscn1.
What is the InChIKey of [(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate?
The InChIKey is ZIIXMXHPSQNALO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-15(14-10-20-11-16-14)19-9-12-6-7-17(8-12)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2/t12-/m1/s1.
What are the key properties of [(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate?
[(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate has a molecular weight of 288.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-phenylpyrrolidin-3-yl]methyl 1,3-thiazole-4-carboxylate is sourced from PubChem (CID 95635068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).