1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one

C20H20FN3O2S — CID 166192477

IUPAC1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESO=C(Cc1csc(N2CCCC2=O)n1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN3O2S/c21-16-5-3-14(4-6-16)15-7-10-23(11-8-15)19(26)12-17-13-27-20(22-17)24-9-1-2-18(24)25/h3-7,13H,1-2,8-12H2
InChIKeySUZFMWFNRPCACM-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.27
Rot. Bonds4

About 1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one

1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 166192477) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID166192477
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESO=C(Cc1csc(N2CCCC2=O)n1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN3O2S/c21-16-5-3-14(4-6-16)15-7-10-23(11-8-15)19(26)12-17-13-27-20(22-17)24-9-1-2-18(24)25/h3-7,13H,1-2,8-12H2
InChIKeySUZFMWFNRPCACM-UHFFFAOYSA-N
XLogP3.27
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
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1-[4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
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CID 8943014
1-[4-[2-(3-amino-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 25391895
1-[4-[2-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 95590157
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CID 27757486
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 35545507

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 166192477) is 1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one is O=C(Cc1csc(N2CCCC2=O)n1)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is SUZFMWFNRPCACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c21-16-5-3-14(4-6-16)15-7-10-23(11-8-15)19(26)12-17-13-27-20(22-17)24-9-1-2-18(24)25/h3-7,13H,1-2,8-12H2.
What are the key properties of 1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 385.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 166192477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).