1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one

C14H15N3OS — CID 71921220

IUPAC1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one
SMILESCN1CCC(Nc2nc(-c3ccccc3)cs2)C1=O
InChIInChI=1S/C14H15N3OS/c1-17-8-7-11(13(17)18)15-14-16-12(9-19-14)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,16)
InChIKeyCGEDREDPEHIKRS-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.45
Rot. Bonds3

About 1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one

1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one (PubChem CID 71921220) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one
PubChem CID71921220
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one
SMILESCN1CCC(Nc2nc(-c3ccccc3)cs2)C1=O
InChIInChI=1S/C14H15N3OS/c1-17-8-7-11(13(17)18)15-14-16-12(9-19-14)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,16)
InChIKeyCGEDREDPEHIKRS-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 133388009
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 54455435
3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 170574110
methyl (2R,4S)-2-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 10110264
3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one
CID 130718526
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106259399
(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 14349728
N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one
CID 170573794
2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione
CID 1497763
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133372121

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one (CID 71921220) is 1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one is CN1CCC(Nc2nc(-c3ccccc3)cs2)C1=O.
What is the InChIKey of 1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one?
The InChIKey is CGEDREDPEHIKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-17-8-7-11(13(17)18)15-14-16-12(9-19-14)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,16).
What are the key properties of 1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one?
1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one has a molecular weight of 273.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 71921220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).