1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid

C14H11FN2O3S — CID 168692312

IUPAC1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2nc(-c3ccccc3F)cs2)C1
InChIInChI=1S/C14H11FN2O3S/c15-10-4-2-1-3-9(10)11-7-21-14(16-11)17-6-8(13(19)20)5-12(17)18/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyJXDASNHEPMYPBO-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.39
Rot. Bonds3

About 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid

1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168692312) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168692312
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2nc(-c3ccccc3F)cs2)C1
InChIInChI=1S/C14H11FN2O3S/c15-10-4-2-1-3-9(10)11-7-21-14(16-11)17-6-8(13(19)20)5-12(17)18/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyJXDASNHEPMYPBO-UHFFFAOYSA-N
XLogP2.39
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 122047336
5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 168698501
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698484
methyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate
CID 168695379
1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691543
[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 15984574
2-[(6S,7S)-6-cyclopentyl-1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-8-oxo-2,5,6,7-tetrahydroazocin-7-yl]acetic acid
CID 66587312
S-[[5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168668940
4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 166272867
5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide
CID 168719509
[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63102619
1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166398727

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid (CID 168692312) is 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2nc(-c3ccccc3F)cs2)C1.
What is the InChIKey of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is JXDASNHEPMYPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-10-4-2-1-3-9(10)11-7-21-14(16-11)17-6-8(13(19)20)5-12(17)18/h1-4,7-8H,5-6H2,(H,19,20).
What are the key properties of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168692312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).