1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one

C15H17N3OS — CID 115917295

IUPAC1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCC(Nc1cccc(N2CCCC2=O)c1)c1cncs1
InChIInChI=1S/C15H17N3OS/c1-11(14-9-16-10-20-14)17-12-4-2-5-13(8-12)18-7-3-6-15(18)19/h2,4-5,8-11,17H,3,6-7H2,1H3
InChIKeyYGKGBGQJRMWHFC-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.44
Rot. Bonds4

About 1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one

1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one (PubChem CID 115917295) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one
PubChem CID115917295
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCC(Nc1cccc(N2CCCC2=O)c1)c1cncs1
InChIInChI=1S/C15H17N3OS/c1-11(14-9-16-10-20-14)17-12-4-2-5-13(8-12)18-7-3-6-15(18)19/h2,4-5,8-11,17H,3,6-7H2,1H3
InChIKeyYGKGBGQJRMWHFC-UHFFFAOYSA-N
XLogP3.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 63992626
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one
CID 43362855
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 30572946
diethyl 2-[3-(2-oxopyrrolidin-1-yl)anilino]propanedioate
CID 71396384
2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 116677234
1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917292
1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 28781574
N-(2,6-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248705

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one (CID 115917295) is 1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one is CC(Nc1cccc(N2CCCC2=O)c1)c1cncs1.
What is the InChIKey of 1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one?
The InChIKey is YGKGBGQJRMWHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11(14-9-16-10-20-14)17-12-4-2-5-13(8-12)18-7-3-6-15(18)19/h2,4-5,8-11,17H,3,6-7H2,1H3.
What are the key properties of 1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one?
1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one has a molecular weight of 287.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 115917295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).