1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid

C14H13FN2O2S — CID 122058968

IUPAC1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C14H13FN2O2S/c15-10-5-3-9(4-6-10)11-8-20-14(16-11)17-7-1-2-12(17)13(18)19/h3-6,8,12H,1-2,7H2,(H,18,19)
InChIKeyHBIGCCRMYBRCHH-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.00
Rot. Bonds3

About 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid (PubChem CID 122058968) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
PubChem CID122058968
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C14H13FN2O2S/c15-10-5-3-9(4-6-10)11-8-20-14(16-11)17-7-1-2-12(17)13(18)19/h3-6,8,12H,1-2,7H2,(H,18,19)
InChIKeyHBIGCCRMYBRCHH-UHFFFAOYSA-N
XLogP3.00
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 120965088
benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1038969
(2S)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122059827
(2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 6577339
1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83152836
cyclohexyl-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 1438379
cyclopropyl-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]methanone
CID 133499169
benzyl (2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1283055
N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 133370734
(2R)-1-[6-(4-fluorophenyl)-5-nitro-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122051682
[(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
CID 133371791
(2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 122051768

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid (CID 122058968) is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is HBIGCCRMYBRCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-10-5-3-9(4-6-10)11-8-20-14(16-11)17-7-1-2-12(17)13(18)19/h3-6,8,12H,1-2,7H2,(H,18,19).
What are the key properties of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid?
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122058968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).