1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C14H12FN3O2S — CID 3154415

IUPAC1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C14H12FN3O2S/c15-10-1-3-11(4-2-10)18-8-9(7-12(18)19)13(20)17-14-16-5-6-21-14/h1-6,9H,7-8H2,(H,16,17,20)
InChIKeyTUTDASSFGLFCRS-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.27
Rot. Bonds3

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

1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 3154415) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID3154415
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C14H12FN3O2S/c15-10-1-3-11(4-2-10)18-8-9(7-12(18)19)13(20)17-14-16-5-6-21-14/h1-6,9H,7-8H2,(H,16,17,20)
InChIKeyTUTDASSFGLFCRS-UHFFFAOYSA-N
XLogP2.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 3154415) is 1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nccs1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is TUTDASSFGLFCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c15-10-1-3-11(4-2-10)18-8-9(7-12(18)19)13(20)17-14-16-5-6-21-14/h1-6,9H,7-8H2,(H,16,17,20).
What are the key properties of 1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3154415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).