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

C14H13FN2O2S — CID 120965088

IUPAC(2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1nc(-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)/t12-/m1/s1
InChIKeyHBIGCCRMYBRCHH-GFCCVEGCSA-N
MW292.33 g/mol
LogP3.00
Rot. Bonds3

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

(2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid (PubChem CID 120965088) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
PubChem CID120965088
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name(2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1nc(-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)/t12-/m1/s1
InChIKeyHBIGCCRMYBRCHH-GFCCVEGCSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid (CID 120965088) is (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is HBIGCCRMYBRCHH-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid?
(2R)-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 (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120965088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).