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

C18H21N3O3S — CID 91955907

IUPAC1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1CN1C(=O)CCC1C(=O)NCc1csc(C)n1
InChIInChI=1S/C18H21N3O3S/c1-12-20-14(11-25-12)9-19-18(23)15-7-8-17(22)21(15)10-13-5-3-4-6-16(13)24-2/h3-6,11,15H,7-10H2,1-2H3,(H,19,23)
InChIKeyGLBCQAAKYSYUTI-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.27
Rot. Bonds6

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

1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 91955907) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID91955907
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1CN1C(=O)CCC1C(=O)NCc1csc(C)n1
InChIInChI=1S/C18H21N3O3S/c1-12-20-14(11-25-12)9-19-18(23)15-7-8-17(22)21(15)10-13-5-3-4-6-16(13)24-2/h3-6,11,15H,7-10H2,1-2H3,(H,19,23)
InChIKeyGLBCQAAKYSYUTI-UHFFFAOYSA-N
XLogP2.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91955897
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
N-[(2-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730994
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110373885
1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 91955904
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110374015
N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91955924
1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733507
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55419703
N-[(2-methoxyphenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9404884
(2S)-1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95074323
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine
CID 111763127

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 91955907) is 1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide is COc1ccccc1CN1C(=O)CCC1C(=O)NCc1csc(C)n1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GLBCQAAKYSYUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-20-14(11-25-12)9-19-18(23)15-7-8-17(22)21(15)10-13-5-3-4-6-16(13)24-2/h3-6,11,15H,7-10H2,1-2H3,(H,19,23).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91955907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).