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

C20H25N3O2S — CID 167992076

IUPAC1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(NC2(c3nc(C)cs3)CCCC2)C1=O
InChIInChI=1S/C20H25N3O2S/c1-14-13-26-19(21-14)20(10-5-6-11-20)22-15-9-12-23(18(15)24)16-7-3-4-8-17(16)25-2/h3-4,7-8,13,15,22H,5-6,9-12H2,1-2H3
InChIKeyBQNWVPVSTIQUSZ-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.62
Rot. Bonds5

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

1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one (PubChem CID 167992076) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one
PubChem CID167992076
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(NC2(c3nc(C)cs3)CCCC2)C1=O
InChIInChI=1S/C20H25N3O2S/c1-14-13-26-19(21-14)20(10-5-6-11-20)22-15-9-12-23(18(15)24)16-7-3-4-8-17(16)25-2/h3-4,7-8,13,15,22H,5-6,9-12H2,1-2H3
InChIKeyBQNWVPVSTIQUSZ-UHFFFAOYSA-N
XLogP3.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 133491152
1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 167893221
(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
CID 125131229
2-(2-aminoethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637755
5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122054304
(3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one
CID 97322605
3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 126791576
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494
1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one
CID 133491151
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one (CID 167992076) is 1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one is COc1ccccc1N1CCC(NC2(c3nc(C)cs3)CCCC2)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one?
The InChIKey is BQNWVPVSTIQUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14-13-26-19(21-14)20(10-5-6-11-20)22-15-9-12-23(18(15)24)16-7-3-4-8-17(16)25-2/h3-4,7-8,13,15,22H,5-6,9-12H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one?
1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one has a molecular weight of 371.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 167992076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).