N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C14H14FN3O2S — CID 3155569

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1=NCCS1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C14H14FN3O2S/c15-10-1-3-11(4-2-10)18-8-9(7-12(18)19)13(20)17-14-16-5-6-21-14/h1-4,9H,5-8H2,(H,16,17,20)
InChIKeyHILWEVWFJCFLHM-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.40
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3155569) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3155569
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1=NCCS1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C14H14FN3O2S/c15-10-1-3-11(4-2-10)18-8-9(7-12(18)19)13(20)17-14-16-5-6-21-14/h1-4,9H,5-8H2,(H,16,17,20)
InChIKeyHILWEVWFJCFLHM-UHFFFAOYSA-N
XLogP1.40
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 3155569) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NC1=NCCS1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HILWEVWFJCFLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c15-10-1-3-11(4-2-10)18-8-9(7-12(18)19)13(20)17-14-16-5-6-21-14/h1-4,9H,5-8H2,(H,16,17,20).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3155569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).