5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one

C21H26N4O2S — CID 126466784

IUPAC5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CNCCC2CCC(=O)N2Cc2cn3cc(C)sc3n2)cc1
InChIInChI=1S/C21H26N4O2S/c1-15-12-24-13-17(23-21(24)28-15)14-25-18(5-8-20(25)26)9-10-22-11-16-3-6-19(27-2)7-4-16/h3-4,6-7,12-13,18,22H,5,8-11,14H2,1-2H3
InChIKeyRJNFQTSXDTTXIB-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.38
Rot. Bonds8

About 5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one

5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one (PubChem CID 126466784) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one
PubChem CID126466784
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CNCCC2CCC(=O)N2Cc2cn3cc(C)sc3n2)cc1
InChIInChI=1S/C21H26N4O2S/c1-15-12-24-13-17(23-21(24)28-15)14-25-18(5-8-20(25)26)9-10-22-11-16-3-6-19(27-2)7-4-16/h3-4,6-7,12-13,18,22H,5,8-11,14H2,1-2H3
InChIKeyRJNFQTSXDTTXIB-UHFFFAOYSA-N
XLogP3.38
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one
CID 45182199
1-[2-(4-fluorophenyl)ethyl]-5-[2-[(4-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45185202
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 42330575
methyl 4-[[2-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate
CID 26344788
(5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26356442
(5R)-1-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[2-[(4-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 125179028
methyl 4-[[2-[(2S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate
CID 42237194
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 42235949
(5S)-1-[2-(4-methoxyphenyl)ethyl]-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 26343476
1-(2-methoxyethyl)-5-[2-(naphthalen-2-ylmethylamino)ethyl]pyrrolidin-2-one
CID 118757536
(5R)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26280880
methyl 4-[[2-[(2S)-1-(2-methylsulfanylethyl)-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate
CID 26337815

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one (CID 126466784) is 5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one is COc1ccc(CNCCC2CCC(=O)N2Cc2cn3cc(C)sc3n2)cc1.
What is the InChIKey of 5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one?
The InChIKey is RJNFQTSXDTTXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-15-12-24-13-17(23-21(24)28-15)14-25-18(5-8-20(25)26)9-10-22-11-16-3-6-19(27-2)7-4-16/h3-4,6-7,12-13,18,22H,5,8-11,14H2,1-2H3.
What are the key properties of 5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one?
5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one has a molecular weight of 398.53 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 126466784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).