3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one

C16H19N3OS — CID 133388009

IUPAC3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(Nc2nc(-c3ccccc3)cs2)C1=O
InChIInChI=1S/C16H19N3OS/c1-11(2)19-9-8-13(15(19)20)17-16-18-14(10-21-16)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,17,18)
InChIKeyGGJMWHLJEQLKRX-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.23
Rot. Bonds4

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

3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 133388009) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one
PubChem CID133388009
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(Nc2nc(-c3ccccc3)cs2)C1=O
InChIInChI=1S/C16H19N3OS/c1-11(2)19-9-8-13(15(19)20)17-16-18-14(10-21-16)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,17,18)
InChIKeyGGJMWHLJEQLKRX-UHFFFAOYSA-N
XLogP3.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one
CID 71921220
(3R)-3-(2,6-difluoroanilino)-1-propan-2-ylpyrrolidin-2-one
CID 124511774
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133372121
(3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 99615411
2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione
CID 1497763
methyl (2R,4S)-2-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 10110264
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108756827
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 54455435
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 9351117

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one (CID 133388009) is 3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CCC(Nc2nc(-c3ccccc3)cs2)C1=O.
What is the InChIKey of 3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is GGJMWHLJEQLKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11(2)19-9-8-13(15(19)20)17-16-18-14(10-21-16)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 301.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 133388009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).