benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate

C21H19FN2O2S — CID 1038969

IUPACbenzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C21H19FN2O2S/c22-17-10-8-16(9-11-17)18-14-27-21(23-18)24-12-4-7-19(24)20(25)26-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,19H,4,7,12-13H2/t19-/m1/s1
InChIKeyFSDGTYAXLWTVMU-LJQANCHMSA-N
MW382.46 g/mol
LogP4.66
Rot. Bonds5

About benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate

benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate (PubChem CID 1038969) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
PubChem CID1038969
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC Namebenzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C21H19FN2O2S/c22-17-10-8-16(9-11-17)18-14-27-21(23-18)24-12-4-7-19(24)20(25)26-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,19H,4,7,12-13H2/t19-/m1/s1
InChIKeyFSDGTYAXLWTVMU-LJQANCHMSA-N
XLogP4.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1283055
(2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 120965088
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122058968
benzyl (2S)-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1282303
benzyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 76582831
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601876
N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 133370734
(2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 6577339
2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid
CID 61009837
benzyl (2R)-2-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 24738698
1-O-benzyl 2-O-[[6-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]oxymethyl]-2-pyridinyl]methyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 10603664
[(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
CID 133371791

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate?
The IUPAC name of benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate (CID 1038969) is benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate is O=C(OCc1ccccc1)[C@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate?
The InChIKey is FSDGTYAXLWTVMU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c22-17-10-8-16(9-11-17)18-14-27-21(23-18)24-12-4-7-19(24)20(25)26-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,19H,4,7,12-13H2/t19-/m1/s1.
What are the key properties of benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate?
benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 1038969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).