1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one

C19H21N3O2S — CID 25269442

IUPAC1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one
SMILESCC(=O)c1s/c(=N\c2ccc(N3CCCC3=O)cc2)n(C2CC2)c1C
InChIInChI=1S/C19H21N3O2S/c1-12-18(13(2)23)25-19(22(12)16-9-10-16)20-14-5-7-15(8-6-14)21-11-3-4-17(21)24/h5-8,16H,3-4,9-11H2,1-2H3/b20-19-
InChIKeyWXDGPARIOZXJJV-VXPUYCOJSA-N
MW355.46 g/mol
LogP3.75
Rot. Bonds4

About 1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one

1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one (PubChem CID 25269442) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one
PubChem CID25269442
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one
SMILESCC(=O)c1s/c(=N\c2ccc(N3CCCC3=O)cc2)n(C2CC2)c1C
InChIInChI=1S/C19H21N3O2S/c1-12-18(13(2)23)25-19(22(12)16-9-10-16)20-14-5-7-15(8-6-14)21-11-3-4-17(21)24/h5-8,16H,3-4,9-11H2,1-2H3/b20-19-
InChIKeyWXDGPARIOZXJJV-VXPUYCOJSA-N
XLogP3.75
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
1-[3-ethyl-4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]imino-1,3-thiazol-5-yl]ethanone;1-[3-ethyl-4-methyl-2-[4-(pyrrolidine-1-carbonyl)phenyl]imino-1,3-thiazol-5-yl]ethanone
CID 68862664
1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 124744134
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
1-[2-(4-ethoxyphenyl)imino-4-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 24952217
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 109400327
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2109025
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]pyrrolidin-2-one
CID 9296296

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one (CID 25269442) is 1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one is CC(=O)c1s/c(=N\c2ccc(N3CCCC3=O)cc2)n(C2CC2)c1C.
What is the InChIKey of 1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one?
The InChIKey is WXDGPARIOZXJJV-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-18(13(2)23)25-19(22(12)16-9-10-16)20-14-5-7-15(8-6-14)21-11-3-4-17(21)24/h5-8,16H,3-4,9-11H2,1-2H3/b20-19-.
What are the key properties of 1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one?
1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one has a molecular weight of 355.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-acetyl-3-cyclopropyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 25269442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).