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

C14H21N3O3S — CID 50977380

IUPAC1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)Cc2csc(C)n2)CC1=O
InChIInChI=1S/C14H21N3O3S/c1-10-15-12(9-21-10)8-16(2)14(19)11-6-13(18)17(7-11)4-5-20-3/h9,11H,4-8H2,1-3H3
InChIKeyUHEKTKRVBJGTHK-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.90
Rot. Bonds6

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

1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50977380) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID50977380
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)Cc2csc(C)n2)CC1=O
InChIInChI=1S/C14H21N3O3S/c1-10-15-12(9-21-10)8-16(2)14(19)11-6-13(18)17(7-11)4-5-20-3/h9,11H,4-8H2,1-3H3
InChIKeyUHEKTKRVBJGTHK-UHFFFAOYSA-N
XLogP0.90
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 50977380) is 1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)N(C)Cc2csc(C)n2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UHEKTKRVBJGTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-15-12(9-21-10)8-16(2)14(19)11-6-13(18)17(7-11)4-5-20-3/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50977380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).