(2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C14H13FN4O2S — CID 52898847

IUPAC(2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)Nc2nncs2)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C14H13FN4O2S/c1-19-11(20)6-10(13(21)17-14-18-16-7-22-14)12(19)8-3-2-4-9(15)5-8/h2-5,7,10,12H,6H2,1H3,(H,17,18,21)/t10-,12+/m1/s1
InChIKeyBTJKRLAZGGJILR-PWSUYJOCSA-N
MW320.35 g/mol
LogP1.84
Rot. Bonds3

About (2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

(2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 52898847) has the molecular formula C14H13FN4O2S and a molecular weight of 320.35 g/mol. Its IUPAC name is (2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID52898847
Molecular FormulaC14H13FN4O2S
Molecular Weight320.35 g/mol
Exact Mass320.07
IUPAC Name(2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)Nc2nncs2)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C14H13FN4O2S/c1-19-11(20)6-10(13(21)17-14-18-16-7-22-14)12(19)8-3-2-4-9(15)5-8/h2-5,7,10,12H,6H2,1H3,(H,17,18,21)/t10-,12+/m1/s1
InChIKeyBTJKRLAZGGJILR-PWSUYJOCSA-N
XLogP1.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 52898848
2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 71689628
(2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 95741333
(2S,3S)-N-butyl-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740531
(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740514
(4R,5R)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740527
(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740528
2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 71689537
2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71689521
(2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 124505381
(2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740503
(2S,3R)-N-(2-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136577

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 52898847) is (2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CN1C(=O)C[C@@H](C(=O)Nc2nncs2)[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is BTJKRLAZGGJILR-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H13FN4O2S/c1-19-11(20)6-10(13(21)17-14-18-16-7-22-14)12(19)8-3-2-4-9(15)5-8/h2-5,7,10,12H,6H2,1H3,(H,17,18,21)/t10-,12+/m1/s1.
What are the key properties of (2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
(2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 52898847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).