N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C20H25N3O3S — CID 91955897

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1CN1C(=O)CCC1C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C20H25N3O3S/c1-20(2,3)16-12-27-19(21-16)22-18(25)14-9-10-17(24)23(14)11-13-7-5-6-8-15(13)26-4/h5-8,12,14H,9-11H2,1-4H3,(H,21,22,25)
InChIKeyOZJFCTGHGCOLOJ-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.58
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 91955897) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID91955897
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1CN1C(=O)CCC1C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C20H25N3O3S/c1-20(2,3)16-12-27-19(21-16)22-18(25)14-9-10-17(24)23(14)11-13-7-5-6-8-15(13)26-4/h5-8,12,14H,9-11H2,1-4H3,(H,21,22,25)
InChIKeyOZJFCTGHGCOLOJ-UHFFFAOYSA-N
XLogP3.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91955907
1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 91955904
1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110674300
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 2644525
N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91955924
1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110421891
1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733507
benzyl (2R)-2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 24739662
N-(4-methoxyphenyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 4679189
(2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 66645103
(2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 89054096
1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 4062433

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 91955897) is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is COc1ccccc1CN1C(=O)CCC1C(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is OZJFCTGHGCOLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-20(2,3)16-12-27-19(21-16)22-18(25)14-9-10-17(24)23(14)11-13-7-5-6-8-15(13)26-4/h5-8,12,14H,9-11H2,1-4H3,(H,21,22,25).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91955897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).